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The Journal of Physical Chemistry Letters|January 26, 2021
Interpretation of Exchange Interaction through Orbital EntanglementJakub Chalupský, Martin Srnec, Takeshi Yanai
The Journal of Physical Chemistry. A|March 22, 2008
Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: a theoretical study of unusual H-bond-assisted catalysisMartin Srnec, Milan Oncak, Rudolf Zahradník
Dalton Transactions (Cambridge, England : 2003)|June 12, 2014
Excited state potential energy surfaces and their interactions in Fe(IV)=O active sitesMartin Srnec, Shaun D Wong, Edward I Solomon
Dalton Transactions (Cambridge, England : 2003)|March 22, 2012
Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectivesTibor András Rokob, Martin Srnec, Lubomír Rulíšek
Chemical Science|October 27, 2021
Bifurcating reactions: distribution of products from energy distribution in a shared reactive modePriyam Bharadwaz, Mauricio Maldonado-Domínguez, Martin Srnec
Inorganic Chemistry|November 13, 2025
Hydrogen Atom Abstraction via Hydride-Coupled Electron Transfer and Its OriginZuzanna Wojdyla, Jishnu Sai Gopinath, Martin Srnec
The Journal of Physical Chemistry. B|April 7, 2009
Reaction mechanism of manganese superoxide dismutase studied by combined quantum and molecular mechanical calculations and multiconfigurational methodsMartin Srnec, Francesco Aquilante, Ulf Ryde, et al.
Inorganic Chemistry|June 9, 2020
Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-CarbenesGautam D Stroscio, Martin Srnec, Ryan G Hadt
Proceedings of the National Academy of Sciences of the United States of America|September 27, 2018
Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivityDaniel Bím, Mauricio Maldonado-Domínguez, Lubomír Rulíšek, et al.
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