Havlas Zdeněk

RNDr., DrSc.
Born May 13, 1951 in Nymburk

• Theoretical organic chemistry, quantum chemistry
• Member of Learned Society since 2003

Educational and professional preparation:

• 1969, graduate, academic secondary school in Nymburk;
• 1969-1975, Faculty of Natural Sciences, Charles University (FS CU);
• 1975, RNDr., FS CU;
• 1979, CSc., Institute of Organic Chemistry and Biochemistry AS CR (IOCB)
• 2001, DrSc., IOCB

Employment and academic positions:

• 1979-present, scientific worker, IOCB; 1996-1998, Chairman, Scientific Council of IOCB
• 1998-2002, Head, Department of Theoretical Chemistry;
• 2002-present, Director, IOCB

Notable awards:

• 2000, Award of Learned Society

Selected publications:

• Z. Havlas, M. Kyvala, J. Michl: Zero-field splitting in triplet nitrenes, phosphinidenes, and arsinidenes. Collect. Czech. Chem. Commun. 68 2335 (2003)
• V. Klusak, Z. Havlas, L. Rulisek, J. Vondrasek, A. Svatos: Sexual attraction in the silkworm moth: Nature of binding of bombykol in pheromone binding protein - An ab initio study. Chem. Biol. 10, 331 (2003)
• L. Rulisek, Z. Havlas: A theoretical design of the most specific combinations of functional groups representing amino acid side chains for the selected metal ions (Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Hg²⁺). J. Phys. Chem. B107, 2376 (2003)
• W. Zierkiewicz, D. Michalska, Z. Havlas, P. Hobza: Study of the nature of improper blue-shifting hydrogen bonding and standard hydrogen bonding in the X₃CH...OH₂ and XH...OH₂ complexes (X = F, Cl, Br, I): A correlated ab initio study. Chem. Phys. Chem. 3, 511 (2002)
• Z. Havlas, J. Michl: Prediction of an inverse heavy-atom effect in H-C-CH₂Br: Bromine substituent as a p acceptor. J. Am. Chem. Soc. 124, 5606 (2002)
• B. J. van der Veken, W. A. Herrebout, R. Szostak, D. N. Shchepkin, Z. Havlas, P. Hobza: The nature of improper, blue-shifting hydrogen bonding verified experimentally. J. Am. Chem. Soc. 123, 12290 (2001)
• P. Hobza, Z. Havlas: Blue-shifting hydrogen bonds. Chem. Rew. 100, 4253 (2000)
• H. Bock, K. Gharagozloo-Hubmann, M. Sievert, T. Prisner, Z. Havlas: Single crystals of an ionic anthracene aggregate with a triplet ground state. Nature 404, 267 (2000)
• Z. Havlas, J. W. Downing, J. Michl: Ab initio methodology and application to 1,1-biradicals: Carbene and silylene. J. Phys. Chem. A102, 5681 (1998)
• Z. Havlas, J. Michl: Spin-orbit coupling in organic biradicals: zero-field splitting in triplet tetramethylene ethane. THEOCHEM 398, 281 (1997)