Search
Department of Chemistry & Biochemistry
The University of Texas at Austin
1 University Station A5300
Austin, TX 78712-0165
Contact Information
Office: WEL: 3.212A
Phone: 471-4671
Lab
Office:
Phone:
Fax: (512) 471-8696
Isaac B. Bersuker
bersuker@cm.utexas.edu
Adjunct Professor
Senior Research Scientist
 |
Research GroupNo information for this group. |
EducationPhD, Leningrad University, 1957 D. Sc., Leningrad University, 1964 |
|
AwardsChugaev medal, Russian Academy of Sciences, 2005 David Ben Gurion medal, Israel, 2005 Medal of Honor, Moldova Republic, 2004 Member of the Academy of Sciences of Moldova (former USSR) , 1989 State Prize Laureat (USSR), 1979 Scientific Discovery, USSR registered N 202, 1978 , |
Affiliations
Institute for Theoretical Chemistry;
Areas of Scientific Interest
Coupling between electronic structure and nuclear configuration and dynamics in polyatomic systems (Jahn-Teller, pseudo Jahn-Teller, and Renner-Teller effects) with applications in Chemistry, Physics, and Biology. The achievements in this field are summarized in the monograph on The Jahn-Teller Effect published by Cambridge University Press in 2006 http://www.cambridge.org/uk/0521822. Our previous three books on this subject were published in 1989 by Springer (with V. Z. Polinger); 1984 by Plenum, and 1984 by IFI/Plenum.
Electronic structure of transition metal coordination compounds (see our monograph on this topic published in 1996 by Wiley, New York).
Identification of pharmacophore and quantitative prediction of activity in drug design, toxicity, and structure-property relationships.
Representative Publications
I. B. Bersuker "The Jahn-Teller effect as a general tool for solving molecular and solid state problems: Novel findings, in Proceedings of the Symposium on the Jahn-Teller Effect (Trieste, Italy, 2006)" J. Mol. Struct. 838 (2007): 44-52.
P. Garcia-Fernandez, I. B. Bersuker, and J. E. Boggs "Orbital Disproportionation and Spin-Crossover as a Pseudo Jahn-Teller Effect" J. Chem, Phys. 125 (2006): 104102.
P. Garcia-Fernandez, I. B. Bersuker and J. E. Boggs "Lost topological (Berry) phase factor in electronic structure calculations. Example: the ozone molecule" Phys. Rev. Lett. 96 (2006): 163005.
I. B. Bersuker "Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry" Fundamental World of Quantum Chemistry (Kluwer, Dordrecht) 3 (2004): 257-271.
I. B. Bersuker "Pharmacophore Identification and Quantitative Bioactivity Prediction Using the Electron-Conformational Method" Current Pharmaceutical Design 9 (2003): 1419-50.
I. B. Bersuker "A Unique Jahn-Teller Mechanism of all the Symmetry Breakings in Molecular Systems and Condensed Matter" Adv. Quant. Chem. 44 (2003): 1-12.