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Artëm E. Masunov
Assistant Professor of Nanoscience, Chemistry, and Physics

·  Address/E-mail

·  Affiliations

·  Courses

·  Education

·  Fields of Interest

·  Publications

·  Awards & Honors

·  Research Group Overview

·  Files and Links

For additional information, see my

extended homepage

Contact Information 

12424 Research Parkway
Suite 400
Orlando, FL 32826

Tel: 407-882-2840
Fax: 407-882-2819
E-mail: amasunov-at-mail.ucf.edu

Affiliations

·        Nanoscience Technology Center

·        Department of Chemistry

·        Department of Physics

·        Biomedical Sciences

·        Computer Science

Courses

·        CHE 2045h: Honors General Chemistry I (Structure and Bonding, Chemical Equations and Thermochemistry)

        Course Material Honors General Chemistry (click the link to see the lecture slides)

·         CHE 3411: Physical Chemistry II (Quantum Mechanics, Spectroscopy and Kinetics)

Education

·        MS/BS in Chemistry (concentration in Crystallography), Moscow State University, Russia

·        Ph.D. in Chemistry (concentration in Physical and Theoretical), City University of New York, NY

Fields of Interest

·        Intermolecular Interactions, Molecular Recognition and Self-Assembly, H-bonding and Van der Waals complexes

·        Crystal growth and structure prediction, Simulations of Organic and Inorganic Materials

·        Electronic Excited States, Theoretical Spectroscopy, and Two-Photon Absorption

·        Protein-ligand interactions, Protein Misfolding, Implicit solvation models

·        Density Functional Theory extension to strongly correlated systems and dispersion interactions

Selected Awards, Honors and Societies

·        Los Alamos National Laboratory: Outstanding Poster Presentation in Chemistry, Los Alamos, NM (2003)

·        American Chemical Society: Travel Award, San Francisco, CA (1998)

·        American Crystallographic Association: Travel Award, St. Luis, MO (1997)

·        International Congress of Quantum Chemistry: Travel Award, Atlanta, GA (1997)

·        International Union of Crystallography: Travel Award, La Plata, Argentina (1995)

·        American Crystallographic Association: Junior Scientist Research Award (1994)

·        International Science Foundation: Russian Scientist Research Award (1993)

·        Swiss Crystallographic Association: Travel Award, Geneva, Switzerland (1992)

·        European Crystallographic Union: Travel Award, Enschede, The Netherlands (1990)

·        Chemistry Department, Moscow State University: Junior Scientist Research Award, Russia (1991)

Research Group Overview

Electronic structure of matter governs atomic and molecular interactions and dynamics, and, eventually, all the properties of the materials and performance of the devices. In principle, it is possible to describe all macroscopic properties and processes based on the first principles of Coulomb interactions between electrons and nuclei. However, such a description must be multiscale in order to be computationally feasible. Description at different levels of the size and time scale requires different approximations to be sufficiently simple. These approximations need to be validated and benchmarked against the results of more detailed description level. Ideally, parameters of the next level model should be derived from the results of more detailed description. This philosophy is sometimes referred to as “The Right Answer for the Right Reason” and it lays the ground of our approach to Theory and Modeling of Nanosystems, Biomolecules, and Materials. Our research is application-driven, but includes methodological development when necessary. For more specific details of current research projects, please visit the Group Website below.

Files and Links of Interest

·        Atomic and Electronic Structure Theory Group: Vist the Group Website

Publications

31. Kauffman J.F., Turner J.M., Alabugin I.V., Breiner B., Kovalenko S.V., Ekaterina A. Badaeva E.A., Masunov A., Tretiak, S. Two-Photon Excitation of Substituted Enediynes. J. Phys. Chem. A, 110, 241-251, 2006

30. Badaeva, E.A., Timofeeva, T.V., Masunov A., Tretiak S. Role of Donor-Acceptor and Separation on the Two-Photon Absorption Response of Cytotoxic Dyes: A TD-DFT Study. J. Phys. Chem., A, 109(32): 7276-84, 2005.

29. Masunov A., Tretiak S., Hong, J.W., Liu, B., Bazan G.C. Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores. J. Chem. Phys., 122(22): 1-10, 2005

28. Kobko N., Masunov A., Tretiak S. Calculations of the third-order non-linear response in push-pull chromophores with time-dependent density functional theory. Chem. Phys. Lett. 392(4-6): 444-451, 2004

27. Masunov A., Tretiak, S. Prediction of two photon absorption properties of organic chromophores using the time-dependent density functional theory. J. Phys. Chem. B, 108(3): 899-907, 2004

26. Toulokhonova I.S., Stringfellow T.C., Ivanov S.A., Masunov A., West R.A. Disilapentalene and a stable diradical from the reaction of a dilithiosilole with a dichlorocyclopropene. J. Am. Chem. Soc. 125(19): 5767-73, 2003

25. Masunov A., Lazaridis T. Potentials of mean force between ionizable amino acid side chains in water. J. Am. Chem. Soc. 125(7): 1722-30, 2003

24. Mallik B., Masunov A., Lazaridis T.   Distance and exposure dependent effective dielectric function. J Comput Chem. 23(11): 1090-1099, 2002
23. Lazaridis T., Masunov A., Gandolfo F.   Contributions to the binding free energy of ligands to avidin and streptavidin. Proteins 47(2): 194-208, 2002
22. Masunov A.   ACD/I-Lab 4.5: an internet service review. J. Chem. Inf. Comput. Sci. 41(4): 1093-1095, 2001

21. Masunov A.   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): 6464 -6464, 2001
20. Masunov A, Dannenberg J.J., Contreras R.H.   C-H bond-shortening upon hydrogen bond formation: Influence of an electric field. J. Phys. Chem. A. 105(19): 4737-4740, 2001
19. Masunov A., Dannenberg J.J.  Theoretical study of urea and thiourea. 2. Chains and ribbons. J. Phys. Chem. B. 104(4):806-810, 2000
18. Cardenas-Jiron G.I., Masunov A., Dannenberg J.J.  Molecular orbital study of crystalline p-benzoquinone. J. Phys. Chem. 103(35):7042-7046, 1999
17. Dannenberg J.J., Haskamp L., Masunov A.  Are hydrogen bonds covalent or electrostatic? A molecular orbital comparison of molecules in electric fields and H-bonding environments. J. Phys. Chem. 103(35): 7083-7086, 1999
16. Masunov A., Dannenberg J.J.  Theoretical study of urea. I. Monomers and dimers. J. Phys. Chem. 103(1): 178-184, 1999
15. Giribet C.G., Vizioli C.V., Deazua M.C.R., Contreras R.H., Dannenberg J.J., Masunov A.  Proximity effects on nuclear spin-spin coupling constants. Part 2. The electric field effect on 1J(CH) couplings. J. Chem. Soc.-Faraday Trans. 92(17): 3029-3033, 1996
14. Masunov A., Dannenberg J.J.  A theoretical investigation of the C-H...O interaction between substituted phenylacetylenes and water. Theochem-J. Mol. Str. 371: 17-19, 1996
13. Vyboishchikov S.F., Masunov A.E., Streltsov V.A., Zorkii P.M. Tsirelson V.G.  Topological analysis of electron density in a chlorine crystals. [Russian] Zhurnal Fizicheskoi Khimii. 68(11): 2024-2028, 1994.   [English Ed.] Russ. J. Phys. Chem. 68(11): 1837-1840, 1994
12. Vyboishchikov S.F., Masunov A.E.  Topological properties of electron density in the H-+H2CO reaction system. Theochem- J. Mol. Str. 117: 161-167, 1994
11. Gladkikh, O. P.; Masunov, A. E.; Leonidov, N. B.; Belsky, V.K. Polymorphism of 6-methyluracil Int. Union Crystallogr., Crystallogr. Symp. (Correlations, Transformations, and Interactions in Organic Crystal Chemistry) 7: 266-288, 1994
10. Masunov A.E. Gladkikh O.P. Zorkii P.M.  Structure-relaxation mechanism of electrical conductivity of crystals. [Russian] Zhurnal Fizicheskoi Khimii. 67(7):1418-1421, 1993 Jul.   [English Ed.] Russ. J. Phys. Chem. 67(7): 1275-1277, 1993
9. Leonidov N.B. Zorkii PM. Masunov AE. Gladkikh OP. Belskii VK. Dzyabchenko AV. Ivanov SA.  Structure and biological nonequivalence of polymeric forms of 6-methyluracil. [Russian] Zhurnal Fizicheskoi Khimii. 67(12): 2464-2468, 1993.   [English Ed.] Russ. J. Phys. Chem. 67(12): 2220-2223, 1993
8. Masunov A.E.  Stereoelectronic model of the structure of layered crystals of binary dihalides. [Russian] Koordinatsionnaya Khimiya. 19(4): 261-268, 1993.   [English Ed.] Russ. J. Coord. Chem. 19(4): 242-249, 1993
7. Masunov A.E. Grichshenko S.I. Zorky P.M.   Influence of specific intermolecular interactions on crystal structure. Uracil derivatives and analogs. [Russian] Zhurnal Fizicheskoi Khimii. 67(2):221-239, 1993 Feb. [English Ed.] Russ. J. Phys. Chem. 67(2):201-217, 1993
6. Panfilov T.N., Gladkikh O.P., Masunov A.E., Poraj-Koshits M.A. Steric shielding of the metal atom in complexonates by using the computer program TPSE. [Russian] Koordinatsionnaya Khimiya. 19(1): 15-18, 1993. [English Ed.] Russ. J. Coord. Chem. 19(1): 11-14, 1993
5. Masunov A.E., Zorky P.M. Donor-acceptor nature of specific nonbonded interactions of sulfur and halogen atoms. Influence on the molecular geometry and packing. [Russian] Zhurnal Strukturnoi Khimii. 33(3): 105-118, 1992. [English Ed.] Russ. J. Struct. Chem. 33(3): 423-435, 1992
4. Masunov A.E., Grichshenko S.I., Zorky P.M. Influence of specific intermolecular interactions on crystal structure. The para-substituted biphenyl berivatives. [Russian] Zhurnal Fizicheskoi Khimii. 66(1): 46-59, 1992. [English Ed.] Russ. J. Phys. Chem. 66(1): 23-30, 1992
3. Masunov A.E., Zorky P.M. Geometric characteristics of Halogen...Halogen intermolecular contacts in organic crystals [Russian] Zhurnal Fizicheskoi Khimii. 66(1): 60-69, 1992. [English Ed.] Russ. J. Phys. Chem. 66(1): 31-35, 1992
2. Zorky P.M., Masunov A.E. X-ray diffraction studies on electron density in organic crystals. [Russian] Uspekhi Khimii. 59(7): 1027-1051, 1990. [English Ed.] Russ. Chem. Rev. 59(7): 529-606, 1990
1. Masunov A.E., Zorky P.M. Quantitative comparison of continuous charge distributions in molecules. [Russian] Vestnik Moskovskogo Universiteta. Ser.2; Khim. 29(2): 131-136, 1988.



Date last modified: 31-May-2006
Date created: 16-Aug-2006
Content by: amsunov-at-mail.ucf.edu
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