Enrico Marko Tapavicza
Affiliations: | California State University Long Beach, Long Beach, CA, United States |
Area:
photochemistry, computational chemistry, non-adiabatic dynamicsGoogle:
"Enrico Tapavicza"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Ursula Roethlisberger | grad student | EPFL | |
| Filipp Furche | post-doc | UC Irvine |
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Publications
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| Franzke YJ, Holzer C, Andersen JH, et al. (2023) TURBOMOLE: Today and Tomorrow. Journal of Chemical Theory and Computation |
| Tapavicza E, Reutershan T, Thompson T. (2023) Ab Initio Simulation of the Ultrafast Circular Dichroism Spectrum of Provitamin D Ring-Opening. The Journal of Physical Chemistry Letters. 5061-5068 |
| Tapavicza E, Reutershan T, Thompson T. (2023) Ab initio simulation of the ultrafast circular dichroism spectrum of provitamin D ring-opening. Arxiv |
| Begušić T, Tapavicza E, Vaníček J. (2022) Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces. Journal of Chemical Theory and Computation |
| de Queiroz TB, de Figueroa ER, Coutinho-Neto MD, et al. (2021) First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent. The Journal of Chemical Physics. 154: 044106 |
| Balasubramani SG, Chen GP, Coriani S, et al. (2020) TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107 |
| Tapavicza E. (2019) Generating Function Approach to Single Vibronic Level Fluorescence Spectra. Journal of Physical Chemistry Letters. 10: 6003-6009 |
| Benkyi I, Tapavicza E, Fliegl H, et al. (2019) Calculation of vibrationally resolved absorption spectra of acenes and pyrene. Physical Chemistry Chemical Physics. 21: 21094-21103 |
| Tapavicza E, Thompson T, Redd K, et al. (2018) Tuning the photoreactivity of Z-hexatriene photoswitches by substituents - a non-adiabatic molecular dynamics study. Physical Chemistry Chemical Physics : Pccp |
| Thompson T, Tapavicza E. (2018) First Principles Prediction of Wavelength-Dependent Product Quantum Yields. The Journal of Physical Chemistry Letters |