Zdeněk Havlas
Affiliations: | Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences |
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Parents
Sign in to add mentor| Pavel Hobza | research assistant | 1975 | Charles University |
| Rudolf Zahradník | grad student | 1979 | Czechoslovak Academy of Sciences |
| Roald Hoffmann | post-doc | 1980 | Cornell |
Children
Sign in to add trainee| Lubomír Rulíšek | grad student | 2001 | Institute of Organic Chemistry and Biochemistry, CAS |
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Publications
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| Ganguly G, Havlas Z, Michl J. (2024) Ab Initio Calculation of UV-vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins. Inorganic Chemistry. 63: 10127-10142 |
| Tom R, Gao S, Yang Y, et al. (2023) Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization. Chemistry of Materials : a Publication of the American Chemical Society. 35: 1373-1386 |
| Ryerson JL, Zaykov A, Aguilar Suarez LE, et al. (2019) Structure and photophysics of indigoids for singlet fission: Cibalackrot. The Journal of Chemical Physics. 151: 184903 |
| Zaykov A, Felkel P, Buchanan EA, et al. (2019) Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model. Journal of the American Chemical Society |
| Buchanan EA, Kaleta J, Wen J, et al. (2019) Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans. The Journal of Physical Chemistry Letters |
| Hobza P, Havlas Z. (2019) Blue-Shifting Hydrogen Bonds. Chemical Reviews. 100: 4253-4264 |
| Buchanan EA, Havlas Z, Michl J. (2019) Optimal Arrangements of Tetracene Molecule Pairs for Fast Singlet Fission Bulletin of the Chemical Society of Japan. 92: 1960-1971 |
| Wen J, Turowski M, Dron PI, et al. (2019) Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives The Journal of Physical Chemistry C. 124: 60-69 |
| Wen J, Han B, Havlas Z, et al. (2018) An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer. Journal of Chemical Theory and Computation |
| Buchanan EA, Havlas Z, Michl J. (2017) Singlet Fission: Optimization of Chromophore Dimer Geometry Advances in Quantum Chemistry. 75: 175-227 |