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Journal of Chemical Theory and Computation|May 25, 2019
Quantum Trajectory Dynamics Based on Local Approximations to the Quantum Potential and ForceSophya Garashchuk, Vitaly RassolovThe Journal of Physical Chemistry. A|August 7, 2007
Stabilization of quantum energy flows within the approximate quantum trajectory approachSophya Garashchuk, Vitaly RassolovThe Journal of Physical Chemistry. A|May 20, 2021
Local Measure of Quantum Effects in Quantum DynamicsVitaly Rassolov, Sophya GarashchukJournal of Chemical Theory and Computation|February 16, 2023
Factorized Electron-Nuclear Dynamics with an Effective Complex PotentialSophya Garashchuk, Julian Stetzler, Vitaly RassolovThe Journal of Physical Chemistry. A|May 2, 2022
Modeling the Ligand Effect on the Structure of CYP 450 Within the Density Functional TheoryMatthew Dutra, Shannon McElhenney, Olivia Manley, et al.The Journal of Physical Chemistry. A|January 3, 2022
Correlation between the Stability of Substituted Cobaltocenium and Molecular DescriptorsShehani T Wetthasinghe, Chunyan Li, Huina Lin, et al.Journal of Chemical Theory and Computation|April 11, 2022
Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural NetworksChunyan Li, Shehani T Wetthasinghe, Huina Lin, et al.The Journal of Physical Chemistry. B|May 4, 2022
Experimental and Theoretical Examination of the Kinetic Isotope Effect in Cytochrome P450 Decarboxylase OleTMatthew Dutra, Jose A Amaya, Shannon McElhenney, et al.The Journal of Chemical Physics|April 28, 2007
Computation of correlation functions and wave function projections in the context of quantum trajectory dynamicsSophya GarashchukThe Journal of Chemical Physics|January 19, 2010
Quantum trajectory dynamics in imaginary time with the momentum-dependent quantum potentialSophya GarashchukPageof 7