Isaac B. Bersuker

bersuker@cm.utexas.edu
Adjunct Professor, Faculty
Senior Research Scientist
Isaac B. Bersuker

Contact Information

Office
WEL 3.212A
Office Phone
471-4671
Fax
(512) 471-8696

Education

PhD, Leningrad University (1957);   D. Sc., Leningrad University (1964)

Awards

David Ben Gurion medal, Israel (2005);   Chugaev medal, Russian Academy of Sciences (2005);   "Order of Honour", Republic of Moldova (2004);   Member of the Academy of Sciences of Moldova (former USSR) (1989);   State Prize Laureat (USSR) (1979);   Scientific Discovery, USSR registered N 202 (1978)

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 (tunneling splitting, origin of molecular geometry, chemical reactivity and activation by coordination, electron transfer in mixed-valence compounds), 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). 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. An International Symposium on this topic is being organized, see http://cdsagenda5.ictp.trieste.it/full_display.php?ida=a05220

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.

Combined quantum/classical modeling for large (organometallic and metallobiochemical) systems (picket-fence iron porphyrin, cobalamin, vitamin B12, etc).



Representative Publications

  • 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, J. A. Aramburu, M. T. Barriuso, and M. Moreno  "Origin of Warping in the E?e Jahn-Teller Problem: Quadratic Vibronic Coupling Versus Anharmonicity" Phys. Rev. B 71 (2005): 184117.

  • 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  "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): 1419-50.

  • I. B. Bersuker  "Modern Aspects of Jahn-Teller Effect Theory and Applications to Molecular Problems" Chemical Reviews 101 (2001): 1067-1114.