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Ksenia Bravaya

Affiliations: 
2008 Lomonosov Moscow State University 
 2009-2013 University of Southern California, Los Angeles, CA, United States 
 2013- Boston University, Boston, MA, United States 
Area:
theoretical chemistry
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"Ksenia Bravaya"
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Parents

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Alexander V. Nemukhin grad student Moscow State
Anna I. Krylov post-doc 2009-2013 USC

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Publications

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Mondal S, Bravaya KB. (2024) Complex potential energy surfaces with projected CAP technique: Vibrational excitation of N2. The Journal of Chemical Physics. 161
Gayvert JR, Bravaya KB. (2022) Application of Box and Voronoi CAPs for Metastable Electronic States in Molecular Clusters. The Journal of Physical Chemistry. A. 126: 5070-5078
Gayvert JR, Bravaya KB. (2022) Projected CAP-EOM-CCSD method for electronic resonances. The Journal of Chemical Physics. 156: 094108
Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801
Kim Y, Bui Y, Tazhigulov RN, et al. (2020) Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database. Journal of Chemical Theory and Computation
RKTP, Kočišek J, Bravaya K, et al. (2020) Electron-induced vibrational excitation and dissociative electron attachment in methyl formate Physical Chemistry Chemical Physics. 22: 518-524
Tazhigulov RN, Gurunathan PK, Kim Y, et al. (2019) Polarizable embedding for simulating redox potentials of biomolecules. Physical Chemistry Chemical Physics : Pccp
Li Z, Ryszka M, Dawley MM, et al. (2019) Dipole-Supported Electronic Resonances Mediate Electron-Induced Amide Bond Cleavage. Physical Review Letters. 122: 073002
Lee MK, Bravaya KB, Coker DF. (2017) First Principles Models for Biological Light-harvesting: Phycobiliprotein Complexes from Cryptophyte Algae. Journal of the American Chemical Society
Jagau TC, Bravaya KB, Krylov AI. (2017) Extending Quantum Chemistry of Bound States to Electronic Resonances. Annual Review of Physical Chemistry. 68: 525-553
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