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Profile Details
Subject Matter Expertise
Services
Writing
Technical Writing,
Translation
Research
Scientific and Technical Research,
Systematic Literature Review
Consulting
Scientific and Technical Consulting
Data & AI
Predictive Modeling,
Statistical Analysis,
Data Visualization
Product Development
Concept Development
Work Experience
Associate Professor
University of Central Florida
May 2005 - Present 
Postdoctoral Staff Member
Los Alamos National Laboratory
June 2002 - January 2005
Education
PhD (Chemistry)
CUNY Graduate Center
August 1994 - May 2000
Certifications
Publications
JOURNAL ARTICLE
Ramees K. Rahman, Chun-Hung Wang, Artëm E. Masunov, Subith Vasu (2023). Experimental and chemical kinetic modeling study of high-temperature oxidation of diisopropyl methylphosphonate (DIMP) - A sarin simulant . Combustion and Flame.
S. V. Panteleev, S. K. Ignatov, S. N. Belyaev, A. G. Razuvaev, Artëm E. Masunov (2023). Structure and Properties of 1237 Low-Lying Isomers of Magnesium Clusters Mgn (n = 2–32) Predicted with the DFT Global Optimization . Journal of Cluster Science.
Stanislav K. Ignatov, Artëm E. Masunov (2023). Unexpected polarization properties of sub-nanosized magnesium clusters . RSC Advances.
Ignatov, S.K., Masunov, A.E.(2023). Unexpected polarization properties of sub-nanosized magnesium clusters . RSC Advances. 13. (6). p. 4065-4076.
Quantitative Comparison of Structural and Mechanical Properties of 6-Chloro-2,4-dinitroaniline Polymorphs <head>
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</head> . Crystal Growth & Design.
High-temperature pyrolysis experiments and chemical kinetics of diisopropyl methylphosphonate (DIMP), a simulant for Sarin <head>
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</head> . Combustion and Flame.
Artëm E. Masunov, Meryl Wiratmo, Alexander A. Dyakov, Yury V. Matveychuk, Ekaterina V. Bartashevich (2022). Prediction of Crystal Structures and Mechanical Properties for Brittle, Plastic, and Elastic Polymorphs of 4-Bromophenyl 4-Bromobenzoate . Crystal Growth & Design.
Mohammad-Pour, G.S., de Coene, Y., Wiratmo, M., Maan, A., Clays, K., Masunov, A.E., Crawford, K.E.(2022). Modular synthesis of zwitterionic, xanthene bridged, low twist angle chromophores with high hyperpolarizability . Materials Advances. 3. (20). p. 7520-7530.
Rahman, R.K., Higgs, J., Ninnemann, E., Baker, J., Masunov, A.E., Vasu, S.S.(2022). Direct measurement of reaction rate for decomposition of diisopropyl methylphosphonate at high temperature using shock tube and laser absorption . International Journal of Chemical Kinetics. 54. (6). p. 371-380.
Masunov, A.E., Wiratmo, M., Dyakov, A.A., Matveychuk, Y.V., Bartashevich, E.V.(2022). Prediction of Crystal Structures and Mechanical Properties for Brittle, Plastic, and Elastic Polymorphs of 4-Bromophenyl 4-Bromobenzoate . Crystal Growth and Design. 22. (7). p. 4546-4558.
Rahman, R.K., Arafin, F., Neupane, S., Wang, C.-H., Baker, J., Ninnemann, E., Masunov, A.E., Vasu, S.S.(2022). High-temperature pyrolysis experiments and chemical kinetics of diisopropyl methylphosphonate (DIMP), a simulant for Sarin . Combustion and Flame. 245.
Matveychuk, Y.V., Yurchenko, A.S., Masunov, A.E., Bartashevich, E.V.(2022). Quantitative Comparison of Structural and Mechanical Properties of 6-Chloro-2,4-dinitroaniline Polymorphs . Crystal Growth and Design. 22. (11). p. 6472-6482.
Panteleev, S.V., Ignatov, S.K., Belyaev, S.N., Razuvaev, A.G., Masunov, A.E.(2022). Structure and Properties of 1237 Low-Lying Isomers of Magnesium Clusters Mg<sub>n</sub> (n = 2–32) Predicted with the DFT Global Optimization . Journal of Cluster Science.
Modular synthesis of zwitterionic, xanthene bridged, low twist angle chromophores with high hyperpolarizability <head>
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</head> . Materials Advances.
Stanislav K. Ignatov, Sergey N. Belyaev, Sergey V. Panteleev, Artëm E. Masunov(2021). How Many Isomers Do Metallic Clusters Have? Case of Magnesium Clusters of up to 55 Atoms . The Journal of Physical Chemistry A. American Chemical Society ({ACS})
Olga Borodina, Irina Ovchinnikova, Gennady Makarov, Oleg Yeltsov, Yulia Titova, Olga Fedorova, Artëm E. Masunov, Ekaterina Bartashevich(2021). Pseudocyclic Form of 4-Hydroxypyrrolidine-2-carboxanilide Podands with Trioxyethylene Chain: Modeling, Conformational Search, and NMR Analysis . The Journal of Physical Chemistry A. 125. (28). p. 6029--6041. American Chemical Society ({ACS})
Borodina, O., Ovchinnikova, I., Makarov, G., Yeltsov, O., Titova, Y., Fedorova, O., Masunov, A.E., Bartashevich, E.(2021). Pseudocyclic Form of 4-Hydroxypyrrolidine-2-carboxanilide Podands with Trioxyethylene Chain: Modeling, Conformational Search, and NMR Analysis . Journal of Physical Chemistry A. 125. (28). p. 6029-6041.
Ignatov, S.K., Belyaev, S.N., Panteleev, S.V., Masunov, A.E.(2021). How Many Isomers Do Metallic Clusters Have? Case of Magnesium Clusters of up to 55 Atoms . Journal of Physical Chemistry A. 125. (30). p. 6543-6555.
Wang, C.-H., Terracciano, A.C., Masunov, A.E., Xu, M., Vasu, S.S.(2021). Accurate prediction of terahertz spectra of molecular crystals of fentanyl and its analogs . Scientific Reports. 11. (1).
Luca Ravotto, Stephen L. Meloni, Tatiana V. Esipova, Artëm E. Masunov, Jessica M. Anna, Sergei A. Vinogradov(2020). Three-Photon Spectroscopy of Porphyrins . The Journal of Physical Chemistry A. 124. (52). p. 11038--11050. American Chemical Society ({ACS})
Artëm E. Masunov, Meryl Wiratmo, Alexander A. Dyakov, Yury V. Matveychuk, Ekaterina V. Bartashevich(2020). Virtual Tensile Test for Brittle, Plastic, and Elastic Polymorphs of 4-Bromophenyl 4-Bromobenzoate . Crystal Growth & Design. 20. (9). p. 6093--6100. American Chemical Society ({ACS})
Neupane, S., Rahman, R.K., Baker, J., Arafin, F., Ninnemann, E., Thurmond, K., Wang, C.-H., Masunov, A.E., Vasu, S.S.(2020). DMMP pyrolysis and oxidation studies at high temperature inside a shock tube using laser absorption measurements of CO . Combustion and Flame. 214. p. 14-24.
Ravotto, L., Meloni, S.L., Esipova, T.V., Masunov, A.E., Anna, J.M., Vinogradov, S.A.(2020). Three-Photon Spectroscopy of Porphyrins . Journal of Physical Chemistry A. 124. (52). p. 11038-11050.
Xu, M., Wang, C.-H., Terracciano, A.C., Masunov, A.E., Vasu, S.S.(2020). High accuracy machine learning identification of fentanyl-relevant molecular compound classification via constituent functional group analysis . Scientific Reports. 10. (1).
Masunov, A.E., Wiratmo, M., Dyakov, A.A., Matveychuk, Y.V., Bartashevich, E.V.(2020). Virtual tensile test for brittle, plastic, and elastic polymorphs of 4-bromophenyl 4-bromobenzoate . Crystal Growth and Design. 20. (9). p. 6093-6100.
Chun-Hung Wang, Artëm E. Masunov, Timothy C. Allison, Sungho Chang, Chansun Lim, Yuin Jin, Subith S. Vasu(2019). Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. 6. Computational Kinetics of Reactions between Hydrogen Atom and Oxygen Molecule H + O2 ⇌ HO + O and H + O2 ⇌ HO2 . The Journal of Physical Chemistry A. 123. (50). p. 10772--10781. American Chemical Society ({ACS})
Stanislav K. Ignatov, Alexey G. Razuvaev, Anastasiia S. Loginova, Artëm E. Masunov(2019). Global Structure Optimization of Pt Clusters Based on the Modified Empirical Potentials, Calibrated using Density Functional Theory . The Journal of Physical Chemistry C. 123. (47). p. 29024--29036. American Chemical Society ({ACS})
Hao-Jung Chang, Mykhailo V. Bondar, Taihong Liu, Xinglei Liu, Sweety Singh, Kevin D. Belfield, Andrew Sheely, Artëm E. Masunov, David J. Hagan, Eric W. Van Stryland(2019). Electronic Nature of Neutral and Charged Two-Photon Absorbing Squaraines for Fluorescence Bioimaging Application . ACS Omega. 4. (12). p. 14669--14679. American Chemical Society ({ACS})
Chun-Hung Wang, Sergey V. Panteleev, Artëm E. Masunov, Timothy C. Allison, Sungho Chang, Chansun Lim, Yuin Jin, Subith S. Vasu(2019). Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 ⇌ CH3 + CH3 . The Journal of Physical Chemistry A. 123. (22). p. 4776--4784. American Chemical Society ({ACS})
Sneha Neupane, Ramees K. Rahman, Artëm E. Masunov, Subith S. Vasu(2019). Theoretical Calculation of Reaction Rates and Combustion Kinetic Modeling Study of Triethyl Phosphate (TEP) . The Journal of Physical Chemistry A. 123. (22). p. 4764--4775. American Chemical Society ({ACS})
Sergey V. Panteleev, Artëm E. Masunov, Subith S. Vasu(2019). Molecular dynamics of combustion reactions in supercritical carbon dioxide. Part 4: boxed MD study of formyl radical dissociation and recombination . Journal of Molecular Modeling. 25. (2). Springer Science and Business Media {LLC}
Elizabeth E. Wait, Artëm E. Masunov, Subith S. Vasu (2019). Quantum chemical and master equation study of OH + CH2O → H2O + CHO reaction rates in supercritical CO2 environment . International Journal of Chemical Kinetics.
Wait, E.E., Masunov, A.E., Vasu, S.S.(2019). Quantum chemical and master equation study of OH + CH<sub>2</sub>O → H<sub>2</sub>O + CHO reaction rates in supercritical CO<sub>2</sub> environment . International Journal of Chemical Kinetics. 51. (1). p. 42-48.
Esipova, T.V., Barrett, M.J.P., Erlebach, E., Masunov, A.E., Weber, B., Vinogradov, S.A.(2019). Oxyphor 2P: A High-Performance Probe for Deep-Tissue Longitudinal Oxygen Imaging . Cell Metabolism. 29. (3). p. 736-744.e7.
Panteleev, S.V., Masunov, A.E., Vasu, S.S.(2019). Molecular dynamics of combustion reactions in supercritical carbon dioxide. Part 4: boxed MD study of formyl radical dissociation and recombination . Journal of Molecular Modeling. 25. (2).
Chang, H.-J., Bondar, M.V., Liu, T., Liu, X., Singh, S., Belfield, K.D., Sheely, A., Masunov, A.E., Hagan, D.J., Van Stryland, E.W.(2019). Electronic Nature of Neutral and Charged Two-Photon Absorbing Squaraines for Fluorescence Bioimaging Application . ACS Omega. 4. (12). p. 14669-14679.
Neupane, S., Rahman, R.K., Masunov, A.E., Vasu, S.S.(2019). Theoretical Calculation of Reaction Rates and Combustion Kinetic Modeling Study of Triethyl Phosphate (TEP) . Journal of Physical Chemistry A. 123. (22). p. 4764-4775.
Ignatov, S.K., Razuvaev, A.G., Loginova, A.S., Masunov, A.E.(2019). Global structure optimization of pt clusters based on the modified empirical potentials, calibrated using density functional theory . Journal of Physical Chemistry C. 123. (47). p. 29024-29036.
Wang, C.-H., Panteleev, S.V., Masunov, A.E., Allison, T.C., Chang, S., Lim, C., Jin, Y., Vasu, S.S.(2019). Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C<sub>2</sub>H<sub>6</sub> ⇌ CH<sub>3</sub> + CH<sub>3</sub> . Journal of Physical Chemistry A. 123. (22). p. 4776-4784.
Wang, C.-H., Masunov, A.E., Allison, T.C., Chang, S., Lim, C., Jin, Y., Vasu, S.S.(2019). Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. 6. Computational Kinetics of Reactions between Hydrogen Atom and Oxygen Molecule H + O<sub>2</sub>HO + O and H + O<sub>2</sub>HO<sub>2</sub> . Journal of Physical Chemistry A. 123. (50). p. 10772-10781.
L. A. Varlamova, S. K. Ignatov, D. G. Fukina, A. A. Konakov, A. E. Masunov, E. V. Suleymanov(2018). Nonlinear Optical Properties of Mixed Oxide Crystals CsNbMoO6 and CsTaMoO6: A Periodic CPHF/KS Study . The Journal of Physical Chemistry C. 122. (43). p. 24907--24916. American Chemical Society ({ACS})
Artëm E. Masunov, Kevin Torres, Alexander A. Dyakov, Irina D. Yushina, Ekaterina V. Bartashevich(2018). First-Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on the Structure and Properties of Triiodobenzenes . The Journal of Physical Chemistry C. 122. (39). p. 22622--22631. American Chemical Society ({ACS})
Irina D. Yushina, Artëm E. Masunov, Diana Lopez, Alexander A. Dyakov, Ekaterina V. Bartashevich(2018). Toward First-Principles Design of Organic Nonlinear Optical Materials: Crystal Structure Prediction and Halogen Bonding Impact on Hyperpolarizabilities of 2-Iodo-3-hydroxypyridine . Crystal Growth & Design. 18. (9). p. 5069--5079. American Chemical Society ({ACS})
Artëm E. Masunov, Elizabeth E. Wait, Subith S. Vasu(2018). Catalytic Effect of Carbon Dioxide on Reaction OH + CO → H + CO2 in Supercritical Environment: Master Equation Study . The Journal of Physical Chemistry A. 122. (31). p. 6355--6359. American Chemical Society ({ACS})
Sneha Neupane, Frank Barnes, Samuel Barak, Erik Ninnemann, Zachary Loparo, Artëm E. Masunov, Subith S. Vasu(2018). Shock Tube/Laser Absorption and Kinetic Modeling Study of Triethyl Phosphate Combustion . The Journal of Physical Chemistry A. 122. (15). p. 3829--3836. American Chemical Society ({ACS})
Sergey V. Panteleev, Artëm E. Masunov, Subith S. Vasu(2018). Molecular Dynamics Study of Combustion Reactions in Supercritical Environment. Part 3: Boxed MD Study of CH3 + HO2 → CH3O + OH Reaction Kinetics . The Journal of Physical Chemistry A. 122. (13). p. 3337--3345. American Chemical Society ({ACS})
Sergey V. Panteleev, Artëm E. Masunov, Subith S. Vasu(2018). Molecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 2: Boxed MD Study of CO + OH → CO2 + H Reaction Kinetics . The Journal of Physical Chemistry A. 122. (4). p. 897--908. American Chemical Society ({ACS})
Panteleev, S.V., Masunov, A.E., Vasu, S.S.(2018). Molecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 2: Boxed MD Study of CO + OH → CO<sub>2</sub> + H Reaction Kinetics . Journal of Physical Chemistry A. 122. (4). p. 897-908.
Rivera-Jacquez, H.J., Masunov, A.E.(2018). Theoretical study of chromophores for biological sensing: Understanding the mechanism of rhodol based multi-chromophoric systems . Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 198. p. 123-135.
Diana Chisca, Lilia Croitor, Oleg Petuhov, Olga V. Kulikova, Galina F. Volodina, Eduard B. Coropceanu, Artëm E. Masunov, Marina S. Fonari(2018). Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars . CrystEngComm. Royal Society of Chemistry ({RSC})
Chisca, D., Croitor, L., Petuhov, O., Kulikova, O.V., Volodina, G.F., Coropceanu, E.B., Masunov, A.E., Fonari, M.S.(2018). Tuning structures and emissive properties in a series of Zn(II) and Cd(II) coordination polymers containing dicarboxylic acids and nicotinamide pillars . CrystEngComm. 20. (4). p. 432-447.
Panteleev, S.V., Masunov, A.E., Vasu, S.S.(2018). Molecular Dynamics Study of Combustion Reactions in Supercritical Environment. Part 3: Boxed MD Study of CH<sub>3</sub> + HO<sub>2</sub> → CH<sub>3</sub>O + OH Reaction Kinetics . Journal of Physical Chemistry A. 122. (13). p. 3337-3345.
Neupane, S., Barnes, F., Barak, S., Ninnemann, E., Loparo, Z., Masunov, A.E., Vasu, S.S.(2018). Shock Tube/Laser Absorption and Kinetic Modeling Study of Triethyl Phosphate Combustion . Journal of Physical Chemistry A. 122. (15). p. 3829-3836.
Masunov, A.E., Wait, E.E., Vasu, S.S.(2018). Catalytic Effect of Carbon Dioxide on Reaction OH + CO → H + CO<sub>2</sub> in Supercritical Environment: Master Equation Study . Journal of Physical Chemistry A. 122. (31). p. 6355-6359.
Yushina, I.D., Masunov, A.E., Lopez, D., Dyakov, A.A., Bartashevich, E.V.(2018). Toward First-Principles Design of Organic Nonlinear Optical Materials: Crystal Structure Prediction and Halogen Bonding Impact on Hyperpolarizabilities of 2-Iodo-3-hydroxypyridine . Crystal Growth and Design. 18. (9). p. 5069-5079.
Masunov, A.E., Torres, K., Dyakov, A.A., Yushina, I.D., Bartashevich, E.V.(2018). First-Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on the Structure and Properties of Triiodobenzenes . Journal of Physical Chemistry C. 122. (39). p. 22622-22631.
Varlamova, L.A., Ignatov, S.K., Fukina, D.G., Konakov, A.A., Masunov, A.E., Suleymanov, E.V.(2018). Nonlinear Optical Properties of Mixed Oxide Crystals CsNbMoO<sub>6</sub> and CsTaMoO<sub>6</sub>: A Periodic CPHF/KS Study . Journal of Physical Chemistry C. 122. (43). p. 24907-24916.
Tatiana V. Esipova, Héctor J. Rivera-Jacquez, Bruno Weber, Artëm E. Masunov, Sergei A. Vinogradov(2017). Stabilizing g-States in Centrosymmetric Tetrapyrroles: Two-Photon-Absorbing Porphyrins with Bright Phosphorescence . The Journal of Physical Chemistry A. 121. (33). p. 6243--6255. American Chemical Society ({ACS})
Artëm E. Masunov, Elizabeth Wait, Subith S. Vasu(2017). Quantum Chemical Study of CH3 + O2 Combustion Reaction System: Catalytic Effects of Additional CO2 Molecule . The Journal of Physical Chemistry A. 121. (30). p. 5681--5689. American Chemical Society ({ACS})
Artëm E. Masunov, Arman Tannu, Alexander A. Dyakov, Anastasia D. Matveeva, Alexandra Ya. Freidzon, Alexey V. Odinokov, Alexander A. Bagaturyants(2017). First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea . The Journal of Chemical Physics. 146. (24). p. 244104. {AIP} Publishing
Artëm E. Masunov, Elizabeth E. Wait, Arseniy A. Atlanov, Subith S. Vasu(2017). Quantum Chemical Study of Supercritical Carbon Dioxide Effects on Combustion Kinetics . The Journal of Physical Chemistry A. 121. (19). p. 3728--3735. American Chemical Society ({ACS})
Ye.O. Shaydyuk, S.M. Levchenko, S.A. Kurhuzenkau, D. Anderson, A.E. Masunov, O.D. Kachkovsky, Yu.L. Slominsky, J.L. Bricks, K.D. Belfield, M.V. Bondar(2017). Linear photophysics, two-photon absorption and femtosecond transient absorption spectroscopy of styryl dye bases . Journal of Luminescence. 183. p. 360--367. Elsevier {BV}
Ghazal Barari, Owen Pryor, Batikan Koroglu, S. Mani Sarathy, Artëm E. Masunov, Subith S. Vasu(2017). High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis . Combustion and Flame. 177. p. 207--218. Elsevier {BV}
Shaydyuk, Y.O., Levchenko, S.M., Kurhuzenkau, S.A., Anderson, D., Masunov, A.E., Kachkovsky, O.D., Slominsky, Y.L., Bricks, J.L., Belfield, K.D., Bondar, M.V.(2017). Linear photophysics, two-photon absorption and femtosecond transient absorption spectroscopy of styryl dye bases . Journal of Luminescence. 183. p. 360-367.
Yushina, I.D., Batalov, V.I., Bartashevich, E.V., Davydov, A.O., Zelenovskiy, P.S., Masunov, A.E.(2017). Raman spectroscopy and theoretic study of hyperpolarizability effect in diiodobutenyl-bis-thioquinolinium triiodide at low temperature . Journal of Raman Spectroscopy. 48. (11). p. 1411-1413.
Barari, G., Pryor, O., Koroglu, B., Sarathy, S.M., Masunov, A.E., Vasu, S.S.(2017). High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis . Combustion and Flame. 177. p. 207-218.
Masunov, A.E., Tannu, A., Dyakov, A.A., Matveeva, A.D., Freidzon, A.Ya., Odinokov, A.V., Bagaturyants, A.A.(2017). First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea . Journal of Chemical Physics. 146. (24).
Masunov, A.E., Wait, E.E., Atlanov, A.A., Vasu, S.S.(2017). Quantum Chemical Study of Supercritical Carbon Dioxide Effects on Combustion Kinetics . Journal of Physical Chemistry A. 121. (19). p. 3728-3735.
Masunov, A.E., Wait, E., Vasu, S.S.(2017). Quantum Chemical Study of CH<sub>3</sub> + O<sub>2</sub> Combustion Reaction System: Catalytic Effects of Additional CO<sub>2</sub> Molecule . Journal of Physical Chemistry A. 121. (30). p. 5681-5689.
Esipova, T.V., Rivera-Jacquez, H.J., Weber, B., Masunov, A.E., Vinogradov, S.A.(2017). Stabilizing g-States in Centrosymmetric Tetrapyrroles: Two-Photon-Absorbing Porphyrins with Bright Phosphorescence . Journal of Physical Chemistry A. 121. (33). p. 6243-6255.
Barari, G., Koroglu, B., Masunov, A.E., Vasu, S.(2017). Products and Pathways of Aldehydes Oxidation in the Negative Temperature Coefficient Region . Journal of Energy Resources Technology, Transactions of the ASME. 139. (1).
Artëm E. Masunov, Arseniy A. Atlanov, Subith S. Vasu(2016). Molecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 1: Carbon Dioxide and Water Force Field Parameters Refitting and Critical Isotherms of Binary Mixtures . Energy & Fuels. 30. (11). p. 9622--9627. American Chemical Society ({ACS})
Artëm E. Masunov, Arseniy A. Atlanov, Subith S. Vasu(2016). Potential Energy Surfaces for the Reactions of HO2Radical with CH2O and HO2in CO2Environment . The Journal of Physical Chemistry A. 120. (39). p. 7681--7688. American Chemical Society ({ACS})
Artëm E. Masunov, Elizabeth Wait, Subith S. Vasu(2016). Chemical Reaction CO+OH•→ CO2+H•Autocatalyzed by Carbon Dioxide: Quantum Chemical Study of the Potential Energy Surfaces . The Journal of Physical Chemistry A. 120. (30). p. 6023--6028. American Chemical Society ({ACS})
Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Saswata Bhattacharya, A. Daniel Boese, Jan Gerit Brandenburg, Peter J. Bygrave, Rita Bylsma, Josh E. Campbell, Roberto Car, et al.(2016). Report on the sixth blind test of organic crystal structure prediction methods . Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 72. (4). p. 439--459. International Union of Crystallography ({IUCr})
Ghazal Barari, Batikan Koroglu, Artëm E. Masunov, Subith Vasu(2016). Products and Pathways of Aldehydes Oxidation in the Negative Temperature Coefficient Region . Journal of Energy Resources Technology. 139. (1). p. 012203. {ASME} International
Binglin Sui, Mykhailo V. Bondar, Dane Anderson, Hector J. Rivera-Jacquez, Artëm E. Masunov, Kevin D. Belfield(2016). New Two-Photon Absorbing BODIPY-Based Fluorescent Probe: Linear Photophysics, Stimulated Emission, and Ultrafast Spectroscopy . The Journal of Physical Chemistry C. 120. (26). p. 14317--14329. American Chemical Society ({ACS})
Taihong Liu, Mykhailo V. Bondar, Kevin D. Belfield, Dane Anderson, Artëm E. Masunov, David J. Hagan, Eric W. Van Stryland(2016). Linear Photophysics and Femtosecond Nonlinear Spectroscopy of a Star-Shaped Squaraine Derivative with Efficient Two-Photon Absorption . The Journal of Physical Chemistry C. 120. (20). p. 11099--11110. American Chemical Society ({ACS})
Liu, T., Bondar, M.V., Belfield, K.D., Anderson, D., Masunov, A.E., Hagan, D.J., Van Stryland, E.W.(2016). Linear Photophysics and Femtosecond Nonlinear Spectroscopy of a Star-Shaped Squaraine Derivative with Efficient Two-Photon Absorption . Journal of Physical Chemistry C. 120. (20). p. 11099-11110.
Diana Chisca, Lilia Croitor, Eduard B. Coropceanu, Oleg Petuhov, Svetlana G. Baca, Karl Krämer, Shi-Xia Liu, Silvio Decurtins, Hector J. Rivera-Jacquez, Artëm E. Masunov, et al.(2016). From pink to blue and back to pink again: changing the Co( ii ) ligation in a two-dimensional coordination network upon desolvation . CrystEngComm. Royal Society of Chemistry ({RSC})
Chisca, D., Croitor, L., Coropceanu, E.B., Petuhov, O., Baca, S.G., Krämer, K., Liu, S.-X., Decurtins, S., Rivera-Jacquez, H.J., Masunov, A.E., et al.(2016). From pink to blue and back to pink again: Changing the Co(II) ligation in a two-dimensional coordination network upon desolvation . CrystEngComm. 18. (3). p. 384-389.
Tatiana V. Esipova, Héctor J. Rivera-Jacquez, Bruno Weber, Artëm E. Masunov, Sergei A. Vinogradov(2016). Two-Photon Absorbing Phosphorescent Metalloporphyrins: Effects of π-Extension and Peripheral Substitution . Journal of the American Chemical Society. 138. (48). p. 15648--15662. American Chemical Society ({ACS})
Esipova, T.V., Rivera-Jacquez, H.J., Weber, B., Masunov, A.E., Vinogradov, S.A.(2016). Two-Photon Absorbing Phosphorescent Metalloporphyrins: Effects of π-Extension and Peripheral Substitution . Journal of the American Chemical Society. 138. (48). p. 15648-15662.
Sui, B., Bondar, M.V., Anderson, D., Rivera-Jacquez, H.J., Masunov, A.E., Belfield, K.D.(2016). New Two-Photon Absorbing BODIPY-Based Fluorescent Probe: Linear Photophysics, Stimulated Emission, and Ultrafast Spectroscopy . Journal of Physical Chemistry C. 120. (26). p. 14317-14329.
Reilly, A.M., Cooper, R.I., Adjiman, C.S., Bhattacharya, S., Boese, A.D., Brandenburg, J.G., Bygrave, P.J., Bylsma, R., Campbell, J.E., Car, R., et al.(2016). Report on the sixth blind test of organic crystal structure prediction methods . Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 72. (4). p. 439-459.
Masunov, A.E., Wait, E., Vasu, S.S.(2016). Chemical Reaction CO+OH<sup>•</sup> → CO<sub>2</sub>+H<sup>•</sup> Autocatalyzed by Carbon Dioxide: Quantum Chemical Study of the Potential Energy Surfaces . Journal of Physical Chemistry A. 120. (30). p. 6023-6028.
Masunov, A.E., Atlanov, A.A., Vasu, S.S.(2016). Potential Energy Surfaces for the Reactions of HO<sub>2</sub> Radical with CH<sub>2</sub>O and HO<sub>2</sub> in CO<sub>2</sub> Environment . Journal of Physical Chemistry A. 120. (39). p. 7681-7688.
Masunov, A.E., Atlanov, A.A., Vasu, S.S.(2016). Molecular dynamics study of combustion reactions in a supercritical environment. Part 1: Carbon dioxide and water force field parameters refitting and critical isotherms of binary mixtures . Energy and Fuels. 30. (11). p. 9622-9627.
Inerbaev, T.M., Karakoti, A.S., Kuchibhatla, S.V.N.T., Kumar, A., Masunov, A.E., Seal, S.(2015). Aqueous medium induced optical transitions in cerium oxide nanoparticles . Physical Chemistry Chemical Physics. 17. (9). p. 6217-6221.
Talgat M. Inerbaev, Ajay S. Karakoti, Satyanarayana V. N. T. Kuchibhatla, Amit Kumar, Artëm E. Masunov, Sudipta Seal(2015). Aqueous medium induced optical transitions in cerium oxide nanoparticles . Physical Chemistry Chemical Physics. 17. (9). p. 6217--6221. Royal Society of Chemistry ({RSC})
Berhanu, W.M., Masunov, A.E.(2015). Atomistic mechanism of polyphenol amyloid aggregation inhibitors: Molecular dynamics study of Curcumin, Exifone, and Myricetin interaction with the segment of tau peptide oligomer . Journal of Biomolecular Structure and Dynamics. 33. (7). p. 1399-1411.
Masunov, A.E., Gangopadhyay, S.(2015). Heisenberg coupling constant predicted for molecular magnets with pairwise spin-contamination correction . Journal of Magnetism and Magnetic Materials. 396. p. 222-227.
Masunov, A.E., Anderson, D., Freidzon, A.Ya., Bagaturyants, A.A.(2015). Symmetry-Breaking in Cationic Polymethine Dyes: Part 2. Shape of Electronic Absorption Bands Explained by the Thermal Fluctuations of the Solvent Reaction Field . Journal of Physical Chemistry A. 119. (26). p. 6807-6815.
Ignatov, S.K., Gadzhiev, O.B., Razuvaev, A.G., Masunov, A.E., Schrems, O.(2014). Adsorption of glyoxal (CHOCHO) and its UV photolysis products on the surface of atmospheric ice nanoparticles. DFT and density functional tight-binding study . Journal of Physical Chemistry C. 118. (14). p. 7398-7413.
Bashmakova, N.V., Shaydyuk, Y.O., Levchenko, S.M., Masunov, A.E., Przhonska, O.V., Bricks, J.L., Kachkovsky, O.D., Slominsky, Y.L., Piryatinski, Y.P., Belfield, K.D., et al.(2014). Design and electronic structure of new styryl dye bases: Steady-state and time-resolved spectroscopic studies . Journal of Physical Chemistry A. 118. (25). p. 4502-4509.
Berhanu, W.M., Masunov, A.E.(2014). Full length amylin oligomer aggregation: Insights from molecular dynamics simulations and implications for design of aggregation inhibitors . Journal of Biomolecular Structure and Dynamics. 32. (10). p. 1651-1669.
Croitor, L., Coropceanu, E.B., Masunov, A.E., Rivera-Jacquez, H.J., Siminel, A.V., Fonari, M.S.(2014). Mechanism of nonlinear optical enhancement and supramolecular isomerism in 1D polymeric Zn(II) and Cd(II) sulfates with pyridine-4-aldoxime ligands . Journal of Physical Chemistry C. 118. (17). p. 9217-9227.
Crotty, A.M., Gizzi, A.N., Rivera-Jacquez, H.J., Masunov, A.E., Hu, Z., Geldmeier, J.A., Gesquiere, A.J.(2014). Molecular packing in organic solar cell materials: Insights from the emission line shapes of P3HT/PCBM polymer blend nanoparticles . Journal of Physical Chemistry C. 118. (34). p. 19975-19984.
Melnic, E., Coropceanu, E.B., Kulikova, O.V., Siminel, A.V., Anderson, D., Rivera-Jacquez, H.J., Masunov, A.E., Fonari, M.S., Kravtsov, V.C.(2014). Robust packing patterns and luminescence quenching in mononuclear [Cu(II)(phen)<sub>2</sub>] sulfates . Journal of Physical Chemistry C. 118. (51). p. 30087-30100.
Gangopadhyay, S., Frolov, D.D., Masunov, A.E., Seal, S.(2014). Structure and properties of cerium oxides in bulk and nanoparticulate forms . Journal of Alloys and Compounds. 584. p. 199-208.
Croitor, L., Coropceanu, E.B., Masunov, A.E., Rivera-Jacquez, H.J., Siminel, A.V., Zelentsov, V.I., Datsko, T.Y., Fonari, M.S.(2014). Polymeric luminescent zn(II) and Cd(II) dicarboxylates decorated by oxime ligands: Tuning the dimensionality and adsorption capacity . Crystal Growth and Design. 14. (8). p. 3935-3948.
Nayyar, I.H., Masunov, A.E.(2014). Two-photon absorption spectra predicted by semiempirical methods . Journal of Computational and Theoretical Nanoscience. 11. (10). p. 2208-2220.
Gangopadhyay, S., Masunov, A.E., Kilina, S.(2014). Predictions of the spin configuration in Mn<sub>12</sub> molecular magnets made accurate with the help of hubbard U on the ligand atoms . Journal of Physical Chemistry C. 118. (35). p. 20605-20612.
Nayyar, I.H., Masunov, A.E., Tretiak, S.(2013). Comparison of TD-DFT methods for the calculation of two-photon absorption spectra of oligophenylvinylenes . Journal of Physical Chemistry C. 117. (35). p. 18170-18189.
Moreshead, W.V., Przhonska, O.V., Bondar, M.V., Kachkovski, A.D., Nayyar, I.H., Masunov, A.E., Woodward, A.W., Belfield, K.D.(2013). Design of a new optical material with broad spectrum linear and two-photon absorption and solvatochromism . Journal of Physical Chemistry C. 117. (44). p. 23133-23147.
Peceli, D., Hu, H., Fishman, D.A., Webster, S., Przhonska, O.V., Kurdyukov, V.V., Slominsky, Y.L., Tolmachev, A.I., Kachkovski, A.D., Gerasov, A.O., et al.(2013). Enhanced intersystem crossing rate in polymethine-like molecules: Sulfur-containing squaraines versus oxygen-containing analogues . Journal of Physical Chemistry A. 117. (11). p. 2333-2346.
Croitor, L., Coropceanu, E.B., Siminel, A.V., Masunov, A.E., Fonari, M.S.(2013). From discrete molecules to one-dimensional coordination polymers containing Mn(II), Zn(II) or Cd(II) pyridine-2-aldoxime building unit . Polyhedron. 60. p. 140-150.
Draguta, S., Fonari, M.S., Masunov, A.E., Zazueta, J., Sullivan, S., Antipin, M.Y., Timofeeva, T.V.(2013). New acentric materials constructed from aminopyridines and 4-nitrophenol . CrystEngComm. 15. (23). p. 4700-4710.
Mikhailov, I.A., Musiał, M., Masunov, A.E.(2013). Permanent dipole moments and energies of excited states from density functional theory compared with coupled cluster predictions: Case of para-nitroaniline . Computational and Theoretical Chemistry. 1019. (1). p. 23-32.
Ganin, E.V., Masunov, A.E., Siminel, A.V., Fonari, M.S.(2013). Preparation, characterization, and electronic structure of asymmetric isonaphthalimide: Mechanism of dual fluorescence in solid state . Journal of Physical Chemistry C. 117. (35). p. 18154-18162.
Berhanu, W.M., Masunov, A.E.(2012). Controlling the aggregation and rate of release in order to improve insulin formulation: Molecular dynamics study of full-length insulin amyloid oligomer models . Journal of Molecular Modeling. 18. (3). p. 1129-1142.
Berhanu, Workalemahu Mikre, Masunov, Artem E.(2012). Controlling the aggregation and rate of release in order to improve insulin formulation: molecular dynamics study of full-length insulin amyloid oligomer models . Journal of Molecular Modeling. 18. (3). p. 1129-1142.
Gadzhiev, O.B., Ignatov, S.K., Krisyuk, B.E., Maiorov, A.V., Gangopadhyay, S., Masunov, A.E.(2012). Quantum chemical study of the initial step of ozone addition to the double bond of ethylene . Journal of Physical Chemistry A. 116. (42). p. 10420-10434.
Gadzhiev, Oleg B., Ignatov, Stanislav K., Krisyuk, Boris E., Maiorov, Alexey V., Gangopadhyay, Shruba, Masunov, Artem E.(2012). Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene . Journal of Physical Chemistry A. 116. (42). p. 10420-10434.
Gerasov, A.O., Nayyar, I.H., Masunov, A.E., Przhonska, O.V., Kachkovsky, O.D., Melnyk, D.O., Ryabitsky, O.B., Viniychuk, O.O.(2012). Solitonic waves in polyene dications and principles of charge carrier localization in π-conjugated organic materials . International Journal of Quantum Chemistry. 112. (14). p. 2659-2667.
Gerasov, Andrii O., Nayyar, Iffat H., Masunov, Artem E., Przhonska, Olga V., Kachkovsky, Olexiy D., Melnyk, Dmytro O., Ryabitsky, Olexiy B., Viniychuk, Olexander O.(2012). Solitonic waves in polyene dications and principles of charge carrier localization in pi-conjugated organic materials . International Journal of Quantum Chemistry. 112. (14). p. 2659-2667.
Hu, H., Fishman, D.A., Gerasov, A.O., Przhonska, O.V., Webster, S., Padilha, L.A., Peceli, D., Shandura, M., Kovtun, Y.P., Kachkovski, A.D., et al.(2012). Two-photon absorption spectrum of a single crystal cyanine-like dye . Journal of Physical Chemistry Letters. 3. (9). p. 1222-1228.
Hu, Honghua, Fishman, Dmitry A., Gerasov, Andrey O., Przhonska, Olga V., Webster, Scott, Padilha, Lazaro A., Peceli, Davorin, Shandura, Mykola, Kovtun, Yuriy P., Kachkovski, Alexey D., et al.(2012). Two-Photon Absorption Spectrum of a Single Crystal Cyanine-like Dye . Journal of Physical Chemistry Letters. 3. (9). p. 1222-1228.
Berhanu, W.M., Masunov, A.E.(2012). Unique example of amyloid aggregates stabilized by main chain H-bond instead of the steric zipper: Molecular dynamics study of the amyloidogenic segment of amylin wild-type and mutants . Journal of Molecular Modeling. 18. (3). p. 891-903.
Berhanu, Workalemahu Mikre, Masunov, Artem E.(2012). Unique example of amyloid aggregates stabilized by main chain H-bond instead of the steric zipper: molecular dynamics study of the amyloidogenic segment of amylin wild-type and mutants . Journal of Molecular Modeling. 18. (3). p. 891-903.
Berhanu, W.M., Masunov, A.E.(2012). Alternative packing modes leading to amyloid polymorphism in five fragments studied with molecular dynamics . Biopolymers. 98. (2). p. 131-144.
Berhanu, Workalemahu M., Masunov, Artem E.(2012). Alternative packing modes leading to amyloid polymorphism in five fragments studied with molecular dynamics . Biopolymers. 98. (2). p. 131-144.
Goel, S., Masunov, A.E.(2012). Density functional theory study of small nickel clusters . Journal of Molecular Modeling. 18. (2). p. 783-790.
Goel, Satyender, Masunov, Artem E.(2012). Density functional theory study of small nickel clusters . Journal of Molecular Modeling. 18. (2). p. 783-790.
Yakovenko, A.A., Gallegos, J.H., Antipin, M.Y., Masunov, A., Timofeeva, T.V.(2011). Crystal morphology as an evidence of supramolecular organization in adducts of 1,2-bis(chloromercurio)tetrafluorobenzene with organic esters . Crystal Growth and Design. 11. (9). p. 3964-3978.
Masunov, Artem, Yakovenko, Andrey A., Gallegos, Jose H., Antipin, Mikhail Yu, Timofeeva, Tatiana V.(2011). Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters . Crystal Growth & Design. 11. (9). p. 3964-3978.
Berhanu, W.M., Masunov, A.E.(2011). Can molecular dynamics simulations assist in design of specific inhibitors and imaging agents of amyloid aggregation? Structure, stability and free energy predictions for amyloid oligomers of VQIVYK, MVGGVV and LYQLEN . Journal of Molecular Modeling. 17. (10). p. 2423-2442.
Berhanu, Workalemahu Mikre, Masunov, Artem E.(2011). Can molecular dynamics simulations assist in design of specific inhibitors and imaging agents of amyloid aggregation? Structure, stability and free energy predictions for amyloid oligomers of VQIVYK, MVGGVV and LYQLEN . Journal of Molecular Modeling. 17. (10). p. 2423-2442.
Goel, S., Masunov, A.E.(2011). Dissociation curves and binding energies of diatomic transition metal carbides from density functional theory . International Journal of Quantum Chemistry. 111. (15). p. 4276-4287.
Goel, Satyender, Masunov, Artem E.(2011). Dissociation Curves and Binding Energies of Diatomic Transition Metal Carbides from Density Functional Theory . International Journal of Quantum Chemistry. 111. (15). p. 4276-4287.
Liu, J., Mikhaylov, I.A., Zou, J., Osaka, I., Masunov, A.E., McCullough, R.D., Zhai, L.(2011). Insight into how molecular structures of thiophene-based conjugated polymers affect crystallization behaviors . Polymer. 52. (10). p. 2302-2309.
Liu, Jianhua, Mikhaylov, Ivan A., Zou, Jianhua, Osaka, Itaru, Masunov, Artem E., McCullough, Richard D., Zhai, Lei(2011). Insight into how molecular structures of thiophene-based conjugated polymers affect crystallization behaviors . Polymer. 52. (10). p. 2302-2309.
Liu, Jianhua, Mikhailov, Ivan A., Osaka, Itaru, Masunov, Artem E., McCullough, Richard D., Zhai, Lei(2011). Insight into how molecular structures of thiophene-based conjugated polymers affect crystallization behaviors . Abstracts of Papers of the American Chemical Society. 242.
Gadzhiev, O.B., Ignatov, S.K., Gangopadhyay, S., Masunov, A.E., Petrov, A.I.(2011). Mechanism of nitric oxide oxidation reaction (2NO + O<sub>2</sub> → 2NO<sub>2</sub>) revisited . Journal of Chemical Theory and Computation. 7. (7). p. 2021-2024.
Gadzhiev, Oleg B., Ignatov, Stanislav K., Gangopadhyay, Shruba, Masunov, Astem E., Petrov, Alexander I.(2011). Mechanism of Nitric Oxide Oxidation Reaction (2NO+O-2 -> 2NO(2)) Revisited . Journal of Chemical Theory and Computation. 7. (7). p. 2021-2024.
Berhanu, Workalemahu M., Masunov, Artem E.(2011). Molecular Dynamic Simulation of Wild Type and Mutants of the Polymorphic Amyloid NNQNTF Segments of Elk Prion: Structural Stability and Thermodynamic of Association . Biopolymers. 95. (9). p. 573-590.
Berhanu, Workalemahu Mikre, Masunov, Artem E.(2011). Molecular dynamics simulations of the amylin oligomers for design of aggregation inhibitors . Abstracts of Papers of the American Chemical Society. 241.
Borowska, L., Fritzsche, S., Kik, P.G., Masunov, A.E.(2011). Near-field enhancement of infrared intensities for f-f transitions in Er<sup>3+</sup> ions close to the surface of silicon nanoparticles . Journal of Molecular Modeling. 17. (3). p. 423-428.
Berhanu, W.M., Masunov, A.E.(2011). Molecular dynamic simulation of wild type and mutants of the polymorphic amyloid NNQNTF segments of elk prion: Structural stability and thermodynamic of association . Biopolymers. 95. (9). p. 573-590.
Borowska, Lesya, Fritzsche, Stephan, Kik, Pieter G., Masunov, Artem E.(2011). Near-field enhancement of infrared intensities for f-f transitions in Er3+ ions close to the surface of silicon nanoparticles . Journal of Molecular Modeling. 17. (3). p. 423-428.
Gangopadhyay, Shruba, Masunov, Artem E.(2011). Prediction of Heisenberg exchange constant and anisotropy of molecular magnetic complexes using DFT plus U . Abstracts of Papers of the American Chemical Society. 241.
Patel, P.D., Masunov, A.E.(2011). Theoretical study of photochromic compounds: Part 3. Prediction of thermal stability . Journal of Physical Chemistry C. 115. (20). p. 10292-10297.
Patel, Pansy D., Masunov, Artem E.(2011). Theoretical Study of Photochromic Compounds: Part 3. Prediction of Thermal Stability . Journal of Physical Chemistry C. 115. (20). p. 10292-10297.
Luchita, G., Bondar, M.V., Yao, S., Mikhailov, I.A., Yanez, C.O., Przhonska, O.V., Masunov, A.E., Belfield, K.D.(2011). Efficient photochromic transformation of a new fluorenyl diarylethene: One- and two-photon absorption spectroscopy . ACS Applied Materials and Interfaces. 3. (9). p. 3559-3567.
Luchita, Gheorghe, Bondar, Mykhailo V., Yao, Sheng, Mikhailov, Ivan A., Yanez, Ciceron O., Przhonska, Olga V., Masunov, Artem E., Belfield, Kevin D.(2011). Efficient Photochromic Transformation of a New Fluorenyl Diarylethene: One- and Two-Photon Absorption Spectroscopy . Acs Applied Materials & Interfaces. 3. (9). p. 3559-3567.
N. B. LEONIDOV, P. M. ZORKII, A. E. MASUNOV, O. P. GLADKIKH, V. K. BEL'SKII, A. V. DZYABCHENKO, S. A. IVANOV(2010). ChemInform Abstract: Structure and Bioinequivalence of Polymorphous Forms of Methyluracil . ChemInform. 25. (20). p. no--no. Wiley-Blackwell
Berhanu, W.M., Mikhailov, I.A., Masunov, A.E.(2010). Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation? . Journal of Molecular Modeling. 16. (6). p. 1093-1101.
Berhanu, WM, Mikhailov, IA, Masunov, AE(2010). Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation? . Journal of Molecular Modeling. 16. (6). p. 1093-1101.
Berhanu, Workalemahu Mikre, Mikhailov, Ivan A, Masunov, Artem E(2010). Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation? . J Mol Model. 16. (6). p. 1093-101.
Inerbaev, T.M., Seal, S., Masunov, A.E.(2010). Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles . Journal of Molecular Modeling. 16. (10). p. 1617-1623.
Inerbaev, TM, Seal, S, Masunov, AE(2010). Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles . Journal of Molecular Modeling. 16. (10). p. 1617-1623.
Belfield, K.D., Bondar, M.V., Frazer, A., Morales, A.R., Kachkovsky, O.D., Mikhailov, I.A., Masunov, A.E., Przhonska, O.V.(2010). Fluorene-based metal-ion sensing probe with high sensitivity to Zn <sup>2+</sup> and efficient two-photon absorption . Journal of Physical Chemistry B. 114. (28). p. 9313-9321.
Belfield, KD, Bondar, MV, Frazer, A, Morales, AR, Kachkovsky, OD, Mikhailov, IA, Masunov, AE, Przhonska, OV(2010). Fluorene-Based Metal-Ion Sensing Probe with High Sensitivity to Zn2+ and Efficient Two-Photon Absorption . Journal of Physical Chemistry B. 114. (28). p. 9313-9321.
Berhanu, W.M., Masunov, A.E.(2010). Natural polyphenols as inhibitors of amyloid aggregation. Molecular dynamics study of GNNQQNY heptapeptide decamer . Biophysical Chemistry. 149. (1-2). p. 12-21.
Kuchma, M.H., Komanski, C.B., Colon, J., Teblum, A., Masunov, A.E., Alvarado, B., Babu, S., Seal, S., Summy, J., Baker, C.H.(2010). Phosphate ester hydrolysis of biologically relevant molecules by cerium oxide nanoparticles . Nanomedicine: Nanotechnology, Biology, and Medicine. 6. (6). p. 738-744.
Masunov, A.E.(2010). Theoretical spectroscopy of carbocyanine dyes made accurate by frozen density correction to excitation energies obtained by TD-DFT . International Journal of Quantum Chemistry. 110. (15). p. 3095-3100.
Passier, R., Ritchie, J.P., Toro, C., Diaz, C., Masunov, A.E., Belfield, K.D., Hernandez, F.E.(2010). Thermally controlled preferential molecular aggregation state in a thiacarbocyanine dye . Journal of Chemical Physics. 133. (13).
Vincent, A., Inerbaev, T.M., Babu, S., Karakoti, A.S., Self, W.T., Masunov, A.E., Seal, S.(2010). Tuning hydrated nanoceria surfaces: Experimental/theoretical investigations of ion exchange and implications in organic and inorganic interactions . Langmuir. 26. (10). p. 7188-7198.
Ganopadhyay, S., Masunov, A.E., Inerbaev, T., Mesit, J., Guha, R.K., Sleiti, A.K., Kapat, J.S.(2010). Understanding oxygen vacancy migration and clustering in barium strontiumcobalt iron oxide . Solid State Ionics. 181. (23-24). p. 1067-1073.
Gangopadhyay, S., Masunov, A.E., Poalelungi, E., Leuenberger, M.N.(2010). Weak antiferromagnetic coupling in molecular ring is predicted correctly by density functional theory plus Hubbard U . Journal of Chemical Physics. 132. (24).
Webster, S., Peceli, D., Hu, H., Padilha, L.A., Przhonska, O.V., Masunov, A.E., Gerasov, A.O., Kachkovski, A.D., Slominsky, Y.L., Tolmachev, A.I., et al.(2010). Near-unity quantum yields for intersystem crossing and singlet oxygen generation in polymethine-like molecules: Design and experimental realization . Journal of Physical Chemistry Letters. 1. (15). p. 2354-2360.
Ivan A. Mikhailov, Kevin D. Belfield, Artëm E. Masunov(2009). DFT-Based Methods in the Design of Two-Photon Operated Molecular Switches . J. Phys. Chem. A. 113. (25). p. 7080--7089. American Chemical Society ({ACS})
Vincent, A., Babu, S., Heckert, E., Dowding, J., Hirst, S.M., Inerbaev, T.M., Self, W.T., Reilly, C.M., Masunov, A.E., Rahman, T.S., et al.(2009). Protonated nanoparticle surface governing ligand tethering and cellular targeting . ACS Nano. 3. (5). p. 1203-1211.
Gadzhiev, O.B., Ignatov, S.K., Razuvaev, A.G., Masunov, A.E.(2009). Quantum chemical study of trimolecular reaction mechanism between nitric oxide and oxygen in the gas phase . Journal of Physical Chemistry A. 113. (32). p. 9092-9101.
Inerbaev, T.M., Masunov, A.E., Khondaker, S.I., Dobrinescu, A., Plamad, A.-V., Kawazoe, Y.(2009). Quantum chemistry of quantum dots: Effects of ligands and oxidation . Journal of Chemical Physics. 131. (4).
Gangopadhayay, S., Inerbaev, T., Masunov, A.E., Altilio, D., Orlovskaya, N.(2009). Structural characterization combined with the first principles simulations of barium/strontium cobaltite/ferrite as promising material for solid oxide fuel cells cathodes and high-temperature oxygen permeation membranes . ACS Applied Materials and Interfaces. 1. (7). p. 1512-1519.
Iordanov, T.D., Davis, J.L., Masunov, A.M.E., Levenson, A., Przhonska, O.V., Kachkovski, A.D.(2009). Symmetry breaking in cationic polymethine dyes, part 1: Ground state potential energy surfaces and solvent effects on electronic spectra of streptocyanines . International Journal of Quantum Chemistry. 109. (15). p. 3592-3601.
Patel, P.D., Mikhailov, I.A., Belfield, K.D., Masunov, A.E.(2009). Theoretical study of photochromic compounds, part 2: Thermal mechanism for byproduct formation and fatigue resistance of diarylethenes used as data storage materials . International Journal of Quantum Chemistry. 109. (15). p. 3711-3722.
Patel, P.D., Masunov, A.E.(2009). Theoretical study of photochromic compounds. 1. Bond length alternation and absorption spectra for the open and closed forms of 29 diarylethene derivatives . Journal of Physical Chemistry A. 113. (29). p. 8409-8414.
Belfield, K.D., Bondar, M.v., Hernandez, F.E., Masunov, A.E., Mikhailov, I.A., Morales, A.R., Przhonska, O.v., Yao, S.(2009). Two-photon absorption properties of new fluorene-based singlet oxygen photosensitizers . Journal of Physical Chemistry C. 113. (11). p. 4706-4711.
Zakharov, M., Masunov, A.E., Dreuw, A.(2009). Water deficient environment accelerates proton exchange: Acetone-water reaction catalyzed by calix[4]hydroquinone nanotubes . Journal of Physical Chemistry C. 113. (24). p. 10395-10401.
Suponitsky, K.Yu., Masunov, A.E., Antipin, M.Yu.(2009). Computational search for nonlinear optical materials: are polarization functions important in the hyperpolarizability predictions of molecules and aggregates? . Mendeleev Communications. 19. (6). p. 311-313.
Babu, S., Thanneeru, R., Inerbaev, T., Day, R., Masunov, A.E., Schulte, A., Seal, S.(2009). Dopant-mediated oxygen vacancy tuning in ceria nanoparticles . Nanotechnology. 20. (8).
Suponitsky, K.Yu., Liao, Y., Masunov, A.E.(2009). Electronic hyperpolarizabilities for donor-acceptor molecules with long conjugated bridges: Calculations versus experiment . Journal of Physical Chemistry A. 113. (41). p. 10994-11001.
Mikhailov, I.A., Bondar, M.V., Belfield, K.D., Masunov, A.E.(2009). Electronic properties of a new two-photon absorbing fluorene derivative: The role of hartree-fock exchange in the density functional theory design of improved nonlinear chromophores . Journal of Physical Chemistry C. 113. (48). p. 20719-20724.
Toro, C., De Boni, L., Yao, S., Ritchie, J.P., Masunov, A.E., Belfield, K.D., Hernandez, F.E.(2009). Linear and nonlinear optical characterizations of a monomeric symmetric squaraine-based dye in solution . Journal of Chemical Physics. 130. (21).
Ivan A. Mikhailov, Sergio Tafur, Artëm E. Masunov(2008). Double excitations and state-to-state transition dipoles in π − π ∗ excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods . Phys. Rev. A. 77. (1). American Physical Society ({APS})
Toro, C., Thibert, A., De Boni, L., Masunov, A.E., Hernández, F.E.(2008). Fluorescence emission of disperse red 1 in solution at room temperature . Journal of Physical Chemistry B. 112. (3). p. 929-937.
Goel, S., Masunov, A.E.(2008). Potential energy curves and electronic structure of 3d transition metal hydrides and their cations . Journal of Chemical Physics. 129. (21).
Yang, P., Tretiak, S., Masunov, A.E., Ivanov, S.(2008). Quantum chemistry of the minimal CdSe clusters . Journal of Chemical Physics. 129. (7).
De Boni, L., Toro, C., Masunov, A.E., Hernández, F.E.(2008). Untangling the excited states of DR1 in solution: An experimental and theoretical study . Journal of Physical Chemistry A. 112. (17). p. 3886-3890.
Masunov, AE, Mikhailov, IA(2008). COMP 13-DFT treatment of excited potential surfaces: Combination of the restricted formalism for excitation energies with the broken-symmetry unrestricted approach to describe the diradical character of the ground state (rTD-uDFT) . Abstracts of Papers of the American Chemical Society. 236.
Goel, S, Masunov, AE(2008). COMP 268-Derivation and implementation of the pairwise spin-contamination correction and application to study potential energy curves for 3-D transition metal hydrides from BS-DFT . Abstracts of Papers of the American Chemical Society. 236.
Masunov, AE, Belfield, KD, Tafur, S(2008). COMP 276-Comparison of sum over states (SOS) and coupled electronic oscillator (CEO) formalisms used for computational design of two-photon absorbing materials with time-dependent density functional theory . Abstracts of Papers of the American Chemical Society. 236.
Suponitsky, K.Y., Tafur, S., Masunov, A.E.(2008). Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability . Journal of Chemical Physics. 129. (4).
Masunov, AE, Mikhailov, IA, Belfield, KD(2008). COMP 70-Computational design of the prototype for a two-photon absorbing photoswitch . Abstracts of Papers of the American Chemical Society. 236.
Zakharov, M., Masunov, A.E., Dreuw, A.(2008). Catalytic role of calix[4]hydroquinone in acetone-water proton exchange: A quantum chemical study of proton transfer via keto-enol tautomerism . Journal of Physical Chemistry A. 112. (41). p. 10405-10412.
Mikhailov, I.A., Tafur, S., Masunov, A.E.(2008). Double excitations and state-to-state transition dipoles in π- π excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods . Physical Review A - Atomic, Molecular, and Optical Physics. 77. (1).
Suponitsky, K.Yu., Masunov, A.E., Antipin, M.Yu.(2008). Conformational dependence of the first molecular hyperpolarizability in the computational design of nonlinear optical materials for optical switching . Mendeleev Communications. 18. (5). p. 265-267.
Kauffman, J.F., Turner, J.M., Alabugin, I.V., Breiner, B., Kovalenko, S.V., Badaeva, E.A., Masunov, A., Tretiak, S.(2006). Two-photon excitation of substituted enediynes . Journal of Physical Chemistry A. 110. (1). p. 241-251.
Badaeva, E.A., Timofeeva, T.V., Masunov, A., Tretiak, S.(2005). Role of donor-acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: A TD-DFT study . Journal of Physical Chemistry A. 109. (32). p. 7276-7284.
Masunov, A., Tretiak, S., Hong, J.W., Liu, B., Bazan, G.C.(2005). Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores . Journal of Chemical Physics. 122. (22).
Artëm Masunov, Sergei Tretiak(2004). Prediction of Two-Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-Functional Theory . J. Phys. Chem. B. 108. (3). p. 899--907. American Chemical Society ({ACS})
Kobko, N., Masunov, A., Tretiak, S.(2004). Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory . Chemical Physics Letters. 392. (4-6). p. 444-451.
Masunov, A., Tretiak, S.(2004). Prediction of two-photon absorption properties for organic chromophores using time-dependent density-functional theory . Journal of Physical Chemistry B. 108. (3). p. 899-907.
Masunov, A., Lazaridis, T.(2003). Potentials of mean force between ionizable amino acid side chains in water . Journal of the American Chemical Society. 125. (7). p. 1722-1730.
Toulokhonova, I.S., Stringfellow, T.C., Ivanov, S.A., Masunov, A., West, R.(2003). A disilapentalene and a stable diradical from the reaction of a dilithiosilole with a dichlorocyclopropene . Journal of the American Chemical Society. 125. (19). p. 5767-5773.
Mallik, B., Masunov, A., Lazaridis, T.(2002). Distance and exposure dependent effective dielectric function . Journal of Computational Chemistry. 23. (11). p. 1090-1099.
Lazaridis, T., Masunov, A., Gandolfo, F.(2002). Contributions to the binding free energy of ligands to avidin and streptavidin . Proteins: Structure, Function and Genetics. 47. (2). p. 194-208.
Artëm Masunov(2001). Introduction to Perturbation Theory in Quantum Mechanics By Francisco M. Fernandez (University of La Plata, Argentina). CRC Press LLC: Boca Raton, FL. 2001. xii + 272 pp. $99.95. ISBN 0-8493-1877-7 . J. Am. Chem. Soc. 123. (26). p. 6464--6464. American Chemical Society ({ACS})
Masunov, A.(2001). ACD/I-Lab 4.5: An Internet Service Review . Journal of Chemical Information and Computer Sciences. 41. (4). p. 1093-1095.
Masunov, A., Dannenberg, J.J., Contreras, R.H.(2001). C-H bond-shortening upon hydrogen bond formation: Influence of an electric field . Journal of Physical Chemistry A. 105. (19). p. 4737-4740.
Artëm Masunov, J. J. Dannenberg(2000). Theoretical Study of Urea and Thiourea. 2. Chains and Ribbons . J. Phys. Chem. B. 104. (4). p. 806--810. American Chemical Society ({ACS})
Masunov, A., Dannenberg, J.J.(2000). Theoretical Study of Urea and Thiourea. 2. Chains and Ribbons . Journal of Physical Chemistry B. 104. (4). p. 806-810.
J. J. Dannenberg, Laury Haskamp, Artëm Masunov(1999). Are Hydrogen Bonds Covalent or Electrostatic? A Molecular Orbital Comparison of Molecules in Electric Fields and H-Bonding Environments . J. Phys. Chem. A. 103. (35). p. 7083--7086. American Chemical Society ({ACS})
Gloria I. Cárdenas-Jirón, Artëm Masunov, J. J. Dannenberg(1999). Molecular Orbital Study of Crystalline p -Benzoquinone . J. Phys. Chem. A. 103. (35). p. 7042--7046. American Chemical Society ({ACS})
Artëm Masunov, J. J. Dannenberg(1999). Theoretical Study of Urea. I. Monomers and Dimers . J. Phys. Chem. A. 103. (1). p. 178--184. American Chemical Society ({ACS})
Dannenberg, J.J., Haskamp, L., Masunov, A.(1999). Are Hydrogen Bonds Covalent or Electrostatic? A Molecular Orbital Comparison of Molecules in Electric Fields and H-Bonding Environments . Journal of Physical Chemistry A. 103. (35). p. 7083-7086.
Cárdenas-Jirón, G.I., Masunov, A., Dannenberg, J.J.(1999). Molecular Orbital Study of Crystalline p-Benzoquinone . Journal of Physical Chemistry A. 103. (35). p. 7042-7046.
Masunov, A., Dannenberg, J.J.(1999). Theoretical study of urea. I. Monomers and dimers . Journal of Physical Chemistry A. 103. (1). p. 178-184.
Artem Masunov, J.J. Dannenberg(1996). A theoretical investigation of the CH ··· O interaction between substituted phenylacetylenes and water . Journal of Molecular Structure: THEOCHEM. 371. p. 17--19. Elsevier {BV}
A theoretical investigation of the C-H⋯O interaction between substituted phenylacetylenes and water @article { 1996,title = {A theoretical investigation of the C-H⋯O interaction between substituted phenylacetylenes and water},journal = {Journal of Molecular Structure: THEOCHEM},year = {1996},volume = {371},number = {1-3 SPEC. ISS.},pages = {17-19},author = {Masunov, A. and Dannenberg, J.J.}} . Journal of Molecular Structure: THEOCHEM.
Giribet, C.G., Vizioli, C.V., Ruiz De Azúa, M.C., Contreras, R.H., Dannenberg, J.J., Masunov, A.(1996). Proximity effects on nuclear spin-spin coupling constants. Part 2. - The electric field effect on <sup>1</sup>J(CH) couplings . Journal of the Chemical Society - Faraday Transactions. 92. (17). p. 3029-3033.
Sergei F. Vyboishchikov, Artem E. Masunov(1994). Topological properties of electron density in the H−+ H2CO reaction system . Journal of Molecular Structure. 311. p. 161--167. Elsevier {BV}
Sergei F. Vyboishchikov, Artem E. Masunov(1994). Topological properties of electron density in the H−+H2CO reaction system . Journal of Molecular Structure: THEOCHEM. 311. p. 161--167. Elsevier {BV}
Vyboishchikov, S.F., Masunov, A.E.(1994). Topological properties of electron density in the H<sup>−</sup>+H<sub>2</sub>CO reaction system . Journal of Molecular Structure: THEOCHEM. 311. p. 161-167.
Vyboishchikov, S.F., Masunov, A.E.(1994). Topological properties of electron density in the H<sup>−</sup>+ H<sub>2</sub>CO reaction system . Journal of Molecular Structure. 311. p. 161-167.
A. �. Masunov, P. M. Zorkii(1992). Donor-acceptor nature of specific nonbonded interactions of sulfur and halogen atoms. Influence on the geometry and packing of molecules . J Struct Chem. 33. (3). p. 423--435. Springer Science $\mathplus$ Business Media
Masunov, A.E., Zorkii, P.M.(1992). Donor-acceptor nature of specific nonbonded interactions of sulfur and halogen atoms. Influence on the geometry and packing of molecules . Journal of Structural Chemistry. 33. (3). p. 423-435.
Zorkii, P.M., Masunov, A.E.(1990). X-ray diffraction studies on electron density in organic crystals . Russian Chemical Reviews. 59. (7). p. 592-606.
CONFERENCE PAPER
Manikantachari, K.R.V., Wang, C.-H., Masunov, A., Vasu, S.(2022). Influence of Binary Diffusion Coefficients on Supercritical CO<sub>2</sub> Flame Characteristics . AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2022.
Makarov, G., Borodina, O., Masunov, A., Ovchinnikova, I., Titova, Y., Fedorova, O., Bartashevich, E.(2022). Combined approach to conformational analysis of 4-hydroxyproline containing podands using NMR and molecular dynamics simulation . AIP Conference Proceedings. 2390.
Neupane, S., Barak, S., Ninnemann, E., Rahman, R., Masunov, A., Vasu, S.(2020). High-temperature dmmp combustion measurements in a shock tube using laser absorption spectroscopy . AIAA Scitech 2020 Forum. 1 PartF. p. 1-4.
Wang, C.-H., Terracciano, A.C., Xu, M., Masunov, A.E., Vasu, S.S.(2020). Unique Terahertz Features of Fentanyl and its Analogs Revealed via High Performance Computations . International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz. 2020-November. p. 756-757.
Neupane, S., Barnes, F., Barak, S., Ninnemann, E., Loparo, Z., Vasu, S.S., Masunov, A.E.(2018). Sarin simulant combustion at high temperature: Time resolved laser absorption spectroscopy of intermediate products in a shock tube . AIAA Aerospace Sciences Meeting, 2018.
Neupane, S., Barnes, F., Barak, S., Ninnemann, E., Loparo, Z., Masunov, A.E., Vasu, S.S.(2018). Shock tube and kinetic modelling study of organo phosphorus compounds used as chemical weapon simulants . 2018 Spring Technical Meeting of the Eastern States Section of the Combustion Institute, ESSCI 2018. 2018-March.
Ghazal Barari, Batikan Koroglu, Artëm E. Masunov, Subith Vasu(2016). Combustion of Aldehydes in the Negative Temperature Coefficient Region: Products and Pathways . Volume 3: Coal, Biomass and Alternative Fuels; Cycle Innovations; Electric Power; Industrial and Cogeneration; Organic Rankine Cycle Power Systems. {ASME}
Barari, G., Koroglu, B., Masunov, A.E., Vasu, S.(2016). Combustion of aldehydes in the negative temperature coefficient region: Products and pathways . Proceedings of the ASME Turbo Expo. 3.
Davorin Peceli, Andriy O. Gerasov, Scott Webster, Honghua Hu, Lazaro Padilha, Volodymyr V. Kurdyukov, Yuriy L. Slominsky, Oleksandr O. Viniychuk, Alexey D. Kachkovski, Artëm E. Masunov, et al.(2010). Effective Generation of Triplet States and Singlet Oxygen by Sulfur-Containing Squaraines: Experimental and Theoretical Study . Conference on Lasers and Electro-Optics 2010. The Optical Society
Peceli, D., Gerasov, A.O., Webster, S., Hu, H., Kurdyukov, L.A.P., Slominsky, Y.L., Viniychuk, O.O., Kachkovski, A.D., Masunov, A.E., Przhonska, O.V., et al.(2010). Effective generation of triplet states and singlet oxygen by sulfur-containing squaraines: Experimental and theoretical study . Optics InfoBase Conference Papers.
Peceli, D., Gerasov, A.O., Webster, S., Hu, H., Padilha, L.A., Kurdyukov, V.V., Slominsky, Y.L., Viniychuk, O.O., Kachkovski, A.D., Masunov, A.E., et al.(2010). Effective generation of triplet states and singlet oxygen by sulfur-containing squaraines: Experimental and theoretical study . Lasers and Electro-Optics/Quantum Electronics and Laser Science Conference: 2010 Laser Science to Photonic Applications, CLEO/QELS 2010.
Artem Masunov, Honghua Hu, Andriy Gerasov, Lazaro Padilha, Olga Przhonska, Scott Webster, Mykola Shandura, Yuriy Kovtun, David Hagan, Eric Van Stryland(2010). Two-Photon Absorption in Single Crystals of Cyanine-Like Dye . Conference on Lasers and Electro-Optics 2010. The Optical Society
Hu, H., Gerasov, A.O., Padilha, L.A., Przhonska, O.V., Webster, S., Shandura, M.P., Kovtun, Y.P., Masunov, A.E., Hagan, D.J., Van Stryland, E.W.(2010). Two-photon absorption in single crystals of cyanine-like dye . Optics InfoBase Conference Papers.
Hu, H., Gerasov, A.O., Padilha, L.A., Przhonska, O.V., Webster, S., Shandura, M.P., Kovtun, Y.P., Masunov, A.E., Hagan, D.J., Van Stryland, E.W.(2010). Two-photon absorption in single crystals of cyanine-like dye . Lasers and Electro-Optics/Quantum Electronics and Laser Science Conference: 2010 Laser Science to Photonic Applications, CLEO/QELS 2010.
Satyender Goel, Artëm E. Masunov(2009). Modeling of Selective Carbon Nanotubes Growth for Non-classical Memory Applications . 2009 Third International Conference on Quantum, Nano and Micro Technologies. Institute of Electrical {\&} Electronics Engineers ({IEEE})
Masunov, A.E., Mikhaylov, I.A.(2009). Simulation of ultrafast photoswitching materials and theoretical principles of their design . IMETI 2009 - 2nd International Multi-Conference on Engineering and Technological Innovation, Proceedings. 1. p. 2-3.
Goel, S., Masunov, A.E.(2009). Modeling of selective carbon nanotubes growth for non-classical memory applications . Proceedings of the 3rd International Conference on Quantum, Nano and Micro Technologies, ICQNM 2009. p. 162-166.
Goel, S., Masunov, A.E.(2008). First principles study of transition metal diatomics as the first step in multiscale simulations of carbon nanotube growth process . Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008. p. 568-571.
Ganopadhyay, S., Inerbaev, T., Masunov, A.E., Altilio, D., Orlovskaya, N., Mesit, J., Guha, R., Sleiti, A., Kapat, J.(2008). Multiscale simulations combined with experimental study of barium/strontium ferrate/cobaltate (BSCF) as a promising material for solid oxide fuel cell (SOFC) . Proceedings of 4th International Conference on Multiscale Materials Modeling, MMM 2008. p. 563-566.
Masunov, A.E., Mikhailov, I.A., Belfield, K.D.(2008). Computational design of organic photochromic molecules for applications as logical switches and memory elements in all-optical and optoelectronic circuits . WMSCI 2008 - The 12th World Multi-Conference on Systemics, Cybernetics and Informatics, Jointly with the 14th International Conference on Information Systems Analysis and Synthesis, ISAS 2008 - Proc. 3. p. 49-50.
OTHER
Ignatov, S.K., Masunov, A.E.(2022). Unusual electronic properties of sub-nanosized magnesium clusters . arXiv.
Odair Aguiar, Sarah Omar Alkholy, Judith Allgrove, Samiah Naji Alqahtani, Anna Amini, Juliana Maria de Mello Andrade, Cristina Andres-Lacueva, Andrea Aquilato, Rajesh Arora, Sara Arranz, et al.(2014). List of Contributors . Polyphenols in Human Health and Disease. p. xxiii--xxx. Elsevier
Workalemahu Mikre Berhanu, Artëm E. Masunov(2014). The Atomic Level Interaction of Polyphenols with the Aβ Oligomer Aggregate, A Molecular Dynamic Guidance for Rational Drug Design . Polyphenols in Human Health and Disease. p. 59--70. Elsevier {BV}
BOOK
Berhanu, W.M., Masunov, A.E.(2013). The Atomic Level Interaction of Polyphenols with the Aβ Oligomer Aggregate, A Molecular Dynamic Guidance for Rational Drug Design . Polyphenols in Human Health and Disease. 1. p. 59-70.
Goel, S., Masunov, A.E.(2009). Pairwise spin-contamination correction method and DFT study of MnH and H<sub>2</sub> dissociation curves . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5545 LNCS. (PART 2). p. 141-150.
Gangopadhyay, S., Masunov, A.E., Poalelungi, E., Leuenberger, M.N.(2009). Prediction of exchange coupling constant for Mn<sub>12</sub> molecular magnet using Dft+U . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5545 LNCS. (PART 2). p. 151-159.
Tafur, S., Mikhailov, I.A., Belfield, K.D., Masunov, A.E.(2009). Predictions of two photon absorption profiles using time-dependent density functional theory combined with SOS and CEO formalisms . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5545 LNCS. (PART 2). p. 179-188.
Mikhailov, I.A., Masunov, A.E.(2009). Theoretical photochemistry of the photochromic molecules based on density functional theory methods . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5545 LNCS. (PART 2). p. 169-178.
Patel, P.D., Masunov, A.E.(2009). Time-dependent density functional theory study of structure-property relationships in diarylethene photochromic compounds . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5545 LNCS. (PART 2). p. 211-220.
Goel, S., Masunov, A.E.(2009). Towards multiscale simulations of carbon nanotube growth process: A density functional theory study of transition metal hydrides . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 5544 LNCS. (PART 1). p. 765-774.
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