RNDr. Zdeněk Havlas, DrSc.
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.
Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives
Journal of Physical Chemistry C 124 (1): 60-69 (2020)
Optimal Arrangements of Tetracene Molecule Pairs for Fast Singlet Fission
Bulletin of the Chemical Society of Japan 92 (12): 1960-1971 (2019)
Structure and photophysics of indigoids for singlet fission: Cibalackrot
Journal of Chemical Physics 151 (18): 184903 (2019)
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model
Journal of the American Chemical Society 141 (44): 17729-17743 (2019)