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Quantum and computetional chemistry, structure and dynamics of molecular and biomolecular systems, hydrogen bond and improper hydrogen bond, relativistic effects in organic molecules, excited states.
RNDr. Zdeněk Havlas, DrSc.
Profile
Research interest
Awards
2015
Czech Senate Silver medal.
2014
Vice-chairman of The Learned Society of the Czech Republic.
2013
De scientia et humanitate optime meritis, AS CR.
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Education
1976 - 1979
Ph.D. (CSc.) in physical chemistry, under R. Zahradník at the Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, Prague.
1969 - 1975
RNDr. degree in physical chemistry, under supervision of P. Hobza at the Charles University, Prague.
Appointments
since 2017
Vice President, Academy Council of Czech Academy of Sciences, Prague.
cince 2012
Honorary Chair, Institute of Organic Chemistry and Biochemistry AS CR, Prague.
2011-2019
Member of Government Office for Science, Research and Innovations, Czech Republic, Prague.
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Other sources
Latest publications
Ab Initio Calculation of UV–vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins
Inorganic Chemistry 63 (22): 10127–10142 (2024)
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization
Chemistry of Materials 35 (3): 1373–1386 (2023)
Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives
Journal of Physical Chemistry C 124 (1): 60-69 (2020)