Victor Vysotskiy (Former)

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2025
Mark Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
Vysotskiy, Victor P. ^LU and Ryde, Ulf ^LU (2025) In Journal of Chemical Physics 162(16).
- Contribution to journal › Article
2024
Mark Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)₄H]⁻ Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. ^LU ; Filippi, Claudia and Ryde, Ulf ^LU (2024) In Journal of Physical Chemistry A 128(7). p.1358-1374
- Contribution to journal › Article
2023
Mark Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]− model employing state-of-the-art ab initio methods
Vysotskiy, Victor P. ^LU ; Torbjörnsson, Magne ^LU ; Jiang, Hao ^LU ; Larsson, Dennis ^LU ; Cao, Lili ^LU ; Ryde, Ulf ^LU ; Zhai, Huanchen ; Lee, Seunghoon ^LU and Chan, Garnet Kin-Lic (2023) In The Journal of chemical physics 159(4).
- Contribution to journal › Article
2019
Mark Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor
Schapiro, Igor ; Gueye, Moussa ; Paolino, Marco ; Fusi, Stefania ; Marchand, Gabriel ; Haacke, Stefan ; Martin, M. Elena ; Huntress, Mark ; Vysotskiy, Victor P. ^LU and Veryazov, Valera ^LU , et al. (2019) In Photochemical and Photobiological Sciences 18(9). p.2259-2269
- Contribution to journal › Article
2018
Mark New compact density matrix averaged ANO basis sets for relativistic calculations
Widmark, Per Olof ^LU ; Zobel, J. Patrick ^LU ; Vysotskiy, Victor P. ^LU ; Tsuchiya, Takashi ^LU and Veryazov, Valera ^LU (2018) In Journal of Chemical Physics 149(19).
- Contribution to journal › Article
2015
Mark Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
Aquilante, Francesco ; Autschbach, Jochen ; Carlson, Rebecca K ; Chibotaru, Liviu F ; Delcey, Mickaël G ; De Vico, Luca ; Fdez Galván, Ignacio ; Ferré, Nicolas ; Frutos, Luis Manuel and Gagliardi, Laura , et al. (2015) In Journal of Computational Chemistry
- Contribution to journal › Article
2013
Mark Parallelization of a multiconfigurational perturbation theory
Vancoillie, Steven ; Delcey, Mickael G. ; Lindh, Roland ; Vysotskiy, Victor ^LU ; Malmqvist, Per-Åke ^LU and Veryazov, Valera ^LU (2013) In Journal of Computational Chemistry 34(22). p.1937-1948
- Contribution to journal › Article
Mark A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package.
Vysotskiy, Victor ^LU ; Boström, Jonas ^LU and Veryazov, Valera ^LU (2013) In Journal of Computational Chemistry 34(30). p.2657-2665
- Contribution to journal › Article