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Ksenia B Bravaya

Showing results (1-10 of 41) with videos related to

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The Journal of Chemical Physics|July 10, 2024
Complex potential energy surfaces with projected CAP technique: Vibrational excitation of N2Soubhik Mondal, Ksenia B Bravaya
Journal of Chemical Theory and Computation|June 3, 2025
Analytic Nuclear Gradients for Complex Potential Energy Surfaces: A Projected CAP ApproachSoubhik Mondal, Ksenia B Bravaya
The Journal of Physical Chemistry Letters|August 12, 2015
First-Principles Calculations of the Energy and Width of the (2)A(u) Shape Resonance in p-Benzoquinone: A Gateway State for Electron TransferAlexander A Kunitsa, Ksenia B Bravaya
Physical Chemistry Chemical Physics : PCCP|May 21, 2021
The redox potential of a heme cofactor in <i>Nitrosomonas europaea</i> cytochrome <i>c</i> peroxidase: a polarizable QM/MM studyElizabeth A Karnaukh, Ksenia B Bravaya
The Journal of Chemical Physics|March 9, 2022
Projected CAP-EOM-CCSD method for electronic resonancesJames R Gayvert, Ksenia B Bravaya
The Journal of Physical Chemistry. A|May 14, 2013
On the photodetachment from the green fluorescent protein chromophoreKsenia B Bravaya, Anna I Krylov
The Journal of Physical Chemistry. A|July 26, 2022
Application of Box and Voronoi CAPs for Metastable Electronic States in Molecular ClustersJames R Gayvert, Ksenia B Bravaya
Physical Chemistry Chemical Physics : PCCP|January 12, 2016
Electronic structure of the para-benzoquinone radical anion revisitedAlexander A Kunitsa, Ksenia B Bravaya
The Journal of Physical Chemistry Letters|June 14, 2016
Free Energies of Redox Half-Reactions from First-Principles CalculationsRuslan N Tazhigulov, Ksenia B Bravaya
The Journal of Physical Chemistry. B|December 11, 2025
Excited States of Peridinin in PCP: A Polarizable Embedding QM/MM StudyAlyssa J Kranc, Ksenia B Bravaya
Pageof 5

Showing results (1-10 of 41) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|July 10, 2024
Complex potential energy surfaces with projected CAP technique: Vibrational excitation of N2Soubhik Mondal, Ksenia B Bravaya
Journal of Chemical Theory and Computation|June 3, 2025
Analytic Nuclear Gradients for Complex Potential Energy Surfaces: A Projected CAP ApproachSoubhik Mondal, Ksenia B Bravaya
The Journal of Physical Chemistry Letters|August 12, 2015
First-Principles Calculations of the Energy and Width of the (2)A(u) Shape Resonance in p-Benzoquinone: A Gateway State for Electron TransferAlexander A Kunitsa, Ksenia B Bravaya
Physical Chemistry Chemical Physics : PCCP|May 21, 2021
The redox potential of a heme cofactor in <i>Nitrosomonas europaea</i> cytochrome <i>c</i> peroxidase: a polarizable QM/MM studyElizabeth A Karnaukh, Ksenia B Bravaya
The Journal of Chemical Physics|March 9, 2022
Projected CAP-EOM-CCSD method for electronic resonancesJames R Gayvert, Ksenia B Bravaya
The Journal of Physical Chemistry. A|May 14, 2013
On the photodetachment from the green fluorescent protein chromophoreKsenia B Bravaya, Anna I Krylov
The Journal of Physical Chemistry. A|July 26, 2022
Application of Box and Voronoi CAPs for Metastable Electronic States in Molecular ClustersJames R Gayvert, Ksenia B Bravaya
Physical Chemistry Chemical Physics : PCCP|January 12, 2016
Electronic structure of the para-benzoquinone radical anion revisitedAlexander A Kunitsa, Ksenia B Bravaya
The Journal of Physical Chemistry Letters|June 14, 2016
Free Energies of Redox Half-Reactions from First-Principles CalculationsRuslan N Tazhigulov, Ksenia B Bravaya
The Journal of Physical Chemistry. B|December 11, 2025
Excited States of Peridinin in PCP: A Polarizable Embedding QM/MM StudyAlyssa J Kranc, Ksenia B Bravaya
Pageof 5