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Group leader

RNDr. Zdeněk Havlas, DrSc.

Profile

Research interest:
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.

Other sources

Selected papers

Recent papers

Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives
Jin Wen
M. Turowski
P. I. Dron
Jakub Chalupský
R. Grotjahn
T. M. Maier
S. M. Fatur
Zdeněk Havlas
J. C. Johnson
M. Kaupp
Josef Michl
Journal of Physical Chemistry C 124 (1): 60-69 (2020).
Optimal Arrangements of Tetracene Molecule Pairs for Fast Singlet Fission
E. A. Buchanan
Zdeněk Havlas
Josef Michl
Bulletin of the Chemical Society of Japan 92 (12): 1960-1971 (2019).
Structure and photophysics of indigoids for singlet fission: Cibalackrot
J. L. Ryerson
Alexandr Zaykov
L. E. Aguilar Suarez
R. W. A. Havenith
B. R. Stepp
P. I. Dron
Jiří Kaleta
A. Akdag
S. J. Teat
T. F. Magnera
J. R. Miller
Zdeněk Havlas
R. Broer
S. Faraji
Josef Michl
J. C. Johnson
Journal of Chemical Physics 151 (18): 184903 (2019).
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model
Alexandr Zaykov
P. Felkel
E. A. Buchanan
M. Jovanovic
R. W. A. Havenith
R. K. Kathir
R. Broer
Zdeněk Havlas
Josef Michl
Journal of the American Chemical Society 141 (44): 17729-17743 (2019).