Valera Veryazov

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2022
Mark Benchmarking ANO-R basis set for multiconfigurational calculations
Larsson, E D ^LU ; Zobel, J P ^LU and Veryazov, V ^LU (2022) In Electronic Structure 4(1).
- Contribution to journal › Article
Mark Convergence of Electronic Structure Properties in Ionic Oxides Within a Fragment Approach
Larsson, Ernst D. ^LU and Veryazov, Valera ^LU (2022) In Frontiers in Chemistry 10.
- Contribution to journal › Article
Mark A program system for self-consistent embedded potentials for ionic crystals
Larsson, Ernst D. ^LU ; Krośnicki, Marek and Veryazov, Valera ^LU (2022) In Chemical Physics 562.
- Contribution to journal › Article
Mark Multiscale Modelling of Atomistic Structure of Calcium Silicate Hydrate
Abrikosov, Alexei I. and Veryazov, Valera ^LU (2022) In Solid State Phenomena 338. p.123-128
- Contribution to journal › Article
2020
Mark Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
Larsson, Ernst D. ^LU ; Dong, Geng ^LU ; Veryazov, Valera ^LU ; Ryde, Ulf ^LU and Hedegård, Erik D. ^LU (2020) In Dalton Transactions 49(5). p.1501-1512
- Contribution to journal › Article
Mark The ANO-R Basis Set
Zobel, J. Patrick ^LU ; Widmark, Per Olof ^LU and Veryazov, Valera ^LU (2020) In Journal of Chemical Theory and Computation 16(1). p.278-294
- Contribution to journal › Article
Mark Modern quantum chemistry with [Open]Molcas
Aquilante, Francesco ^LU ; Autschbach, Jochen ; Baiardi, Alberto ; Battaglia, Stefano ; Borin, Veniamin A. ; Chibotaru, Liviu F. ; Conti, Irene ; De Vico, Luca ^LU ; Delcey, Mickaël ^LU and Fdez Galván, Ignacio , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
2019
Mark OpenMolcas : From Source Code to Insight
Fdez. Galván, Ignacio ; Vacher, Morgane ; Alavi, Ali ; Angeli, Celestino ; Aquilante, Francesco ^LU ; Autschbach, Jochen ; Bao, Jie J. ; Bokarev, Sergey I. ; Bogdanov, Nikolay A. and Carlson, Rebecca K. , et al. (2019) In Journal of Chemical Theory and Computation 15(11). p.5925-5964
- Contribution to journal › Scientific review
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
Mark Pyridine-cyanoanthracene bonded exciplex
Bolaño, Iria ^LU ; Naderi, Fereshteh and Veryazov, Valera ^LU (2019) International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019 In AIP Conference Proceedings 2186.
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding

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