Bravaya,Ksenia

个人简历

M.Sc. (cum laude), Lomonosov Moscow State University, 2005
Ph.D., Lomonosov Moscow State University, 2008
Postdoctoral Associate, University of Southern California, 2013

近期论文

[1] A. Kunitsa and K.B. Bravaya. First-principles calculations of the energy and width of the 2Au shape resonance in p-benzoquinone, a gateway state for electron transfer. J. Phys. Chem. Lett., 6:1053–1058, 2015. [ http ]r
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B.L. Yoder, K.B. Bravaya, A. Bodi, A.H.C. West, B. Sztáray, and R. Signorell. Barrierless proton transfer across weak ch...o hydrogen bonds in dimethyl ether dimer, J. Chem. Phys., 142:114303, 2015. [ http ]r
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Y. Shao, Z. Gan, E. Epifanovsky, A. TB Gilbert, M. Wormit, et al. Advances in molecular quantum chemistry contained in the q-chem 4 program package. Mol. Phys., 113:184-215, 2015. [ http ]r
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J. Lazzari-Dean, A.I. Krylov, and K.B. Bravaya. The effects of resonance delocalization and the extent of system on ionization energies of model fluorescent proteins chromophores. Int. J. Quant. Chem., 2015, in press. [ http ]r
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V.A. Mironov, K.B. Bravaya, and A.V. Nemukhin. On the role of zwitterions in kindling fluorescent protein photochemistry. J. Phys. Chem. B, 2015, in press. [ http ]r
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D. Zuev, T.-C. Jagau, K.B. Bravaya, E. Epifanovsky, Y. Shao, E. Sundstrom, M. Head-Gordon, and A.I. Krylov. Complex absorbing potentials within eom-cc family of methods: Theory, implementation, and benchmarks. J. Chem. Phys., 141:024102, 2014. [ http ]r
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T.-C. Jagau, D. Zuev, K.B. Bravaya, E. Epifanovsky, and A.I. Krylov. A fresh look at resonances and complex absorbing potentials: Density matrix-based approach. J. Phys. Chem. Lett., 5:310-315, 2014. [ http ]r
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R.B. Vegh, K.B. Bravaya, D.A. Bloch, A.S. Bommarius, L.M. Tolbert, M. Verkhovsky, A.I. Krylov, and K.M. Solntsev. Chromophore photoreduction in red fluorescent proteins is responsible for bleaching and phototoxicity. J. Phys. Chem. B, 118:4527-4534, 2014. [ http ]r
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K.B. Bravaya and A.I. Krylov. On the photodetachment from the green fluorescent protein chromophore. J. Phys. Chem. A, 117:11815-11822, 2013. [ http ]r
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K.B. Bravaya, D. Zuev, E. Epifanovsky, and A.I. Krylov. Complex-scaled equation-of-motion coupled-cluster method with single and double dubstitutions for autoionizing excited states: Theory, implementation, and examples. J. Chem. Phys., 138:124106, 2013. [ http ]
K. Khistyaev, A. Golan, K.B. Bravaya, N. Orms, A.I. Krylov, and M. Ahmed. Proton transfer in nucleobases is mediated by water. J. Phys. Chem. A, 117:6789-6797, 2013. [

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