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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
Faculty
Senior Research Scientist

Research Group


No information for this group.

Education


PhD, Leningrad University, 1957
D. Sc., Leningrad University, 1964

Awards


David Ben Gurion medal, Israel, 2005
Chugaev medal, Russian Academy of Sciences, 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, Renner-Teller, and
Hidden Jahn-Teller effects) with applications in Chemistry (tunneling splitting,
origin of molecular geometry, chemical reactivity and activation by
coordination), Physics (localized states in crystals, symmetry breaking,
structural phase transitions, ferroelectricity), and Biology (trigger mechanism
of hemoglobin oxygenation, coordination of small molecules to metalloenzymes).
The achievements in this field are summarized in the  monograph on The
Jahn-Teller Effect published by Cambridge University Press,
http://www.cambridge.org/uk/0521822122.

 -  Electronic structure of transition metal coordination compounds; see our
monographs on this topic published in 1996 by Wiley, New York, Second Edition,
2010:
http://eu.wiley.com/WileyCDA/Section/id-302479.html?query=Isaac+B.+Bersuker
 
- Identification of pharmacophore and quantitative prediction of activity in
drug design, toxicity, and structure-property relationships.

Representative Publications



I. B. Bersuker "Recent Developments in the Jahn-Teller Effect theory. The Hidden Jahn-Teller Effect, In" The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry , Springer Series in Chemical Physics, v.97 Eds. H. Köppel, H. Barentzen and D. R. Yarkony, Springer, Heidelberg, (2009): Chapter 1, pp 3-23.

Yang Liu, I. B. Bersuker, Wenli Zou and J. E. Boggs "Combined Jahn-Teller and pseudo Jahn-Teller effects in the CO3 molecule: a seven-state six-mode problem" J. Chem. Theory Comp. 5 (2009): 2679-2686.

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): 102, 104.

I. B. Bersuker "Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry" Fundamental World of Quantum Chemistry 3 (2004): 257-271.

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.

I. B. Bersuker "Pharmacophore Identification and Quantitative Bioactivity Prediction Using the Electron-Conformational Method" Current Pharmaceutical Design 9 (2003): 1419-1450.