| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3070 | 2015 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 686 | 2021 |
| Photoinduced chemistry in fluorescent proteins: curse or blessing? A Acharya, AM Bogdanov, BL Grigorenko, KB Bravaya, AV Nemukhin, ... Chemical Reviews 117 (2), 758-795, 2017 | 244 | 2017 |
| Extending quantum chemistry of bound states to electronic resonances TC Jagau, KB Bravaya, AI Krylov Annual review of physical chemistry 68, 525-553, 2017 | 154 | 2017 |
| Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks D Zuev, TC Jagau, KB Bravaya, E Epifanovsky, Y Shao, E Sundstrom, ... The Journal of chemical physics 141 (2), 2014 | 144 | 2014 |
| Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores KB Bravaya, BL Grigorenko, AV Nemukhin, AI Krylov Accounts of chemical research 45 (2), 265-275, 2012 | 143 | 2012 |
| A fresh look at resonances and complex absorbing potentials: Density matrix-based approach TC Jagau, D Zuev, KB Bravaya, E Epifanovsky, AI Krylov The journal of physical chemistry letters 5 (2), 310-315, 2014 | 133 | 2014 |
| An opsin shift in rhodopsin: Retinal S0− S1 excitation in protein, in solution, and in the gas phase K Bravaya, A Bochenkova, A Granovsky, A Nemukhin Journal of the American Chemical Society 129 (43), 13035-13042, 2007 | 114 | 2007 |
| Electronic structure and spectroscopy of nucleic acid bases: ionization energies, ionization-induced structural changes, and photoelectron spectra KB Bravaya, O Kostko, S Dolgikh, A Landau, M Ahmed, AI Krylov The Journal of Physical Chemistry A 114 (46), 12305-12317, 2010 | 106 | 2010 |
| The effect of π-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine–adenine, thymine–thymine and adenine–thymine dimers KB Bravaya, O Kostko, M Ahmed, AI Krylov Physical Chemistry Chemical Physics 12 (10), 2292-2307, 2010 | 97 | 2010 |
| Effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophore KB Bravaya, MG Khrenova, BL Grigorenko, AV Nemukhin, AI Krylov The Journal of Physical Chemistry B 115 (25), 8296-8303, 2011 | 96 | 2011 |
| Ionization of cytosine monomer and dimer studied by VUV photoionization and electronic structure calculations O Kostko, K Bravaya, A Krylov, M Ahmed Physical Chemistry Chemical Physics 12 (12), 2860-2872, 2010 | 83 | 2010 |
| Ionization of dimethyluracil dimers leads to facile proton transfer in the absence of hydrogen bonds A Golan, KB Bravaya, R Kudirka, O Kostko, SR Leone, AI Krylov, ... Nature Chemistry 4 (4), 323-329, 2012 | 76 | 2012 |
| Chromophore photoreduction in red fluorescent proteins is responsible for bleaching and phototoxicity RB Vegh, KB Bravaya, DA Bloch, AS Bommarius, LM Tolbert, ... The Journal of Physical Chemistry B 118 (17), 4527-4534, 2014 | 74 | 2014 |
| Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: Theory, implementation, and examples KB Bravaya, D Zuev, E Epifanovsky, AI Krylov The Journal of chemical physics 138 (12), 2013 | 72 | 2013 |
| Gas phase absorption studies of photoactive yellow protein chromophore derivatives T Rocha-Rinza, O Christiansen, J Rajput, A Gopalan, DB Rahbek, ... The Journal of Physical Chemistry A 113 (34), 9442-9449, 2009 | 69 | 2009 |
| Turning on and off photoinduced electron transfer in fluorescent proteins by π-stacking, halide binding, and Tyr145 mutations AM Bogdanov, A Acharya, AV Titelmayer, AV Mamontova, KB Bravaya, ... Journal of the American Chemical Society 138 (14), 4807-4817, 2016 | 62 | 2016 |
| First-principles models for biological light-harvesting: Phycobiliprotein complexes from cryptophyte algae MK Lee, KB Bravaya, DF Coker Journal of the American Chemical Society 139 (23), 7803-7814, 2017 | 56 | 2017 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Chem. Commun 54, 6883-6886, 2018 | 54 | 2018 |
| Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore D Zuev, KB Bravaya, TD Crawford, R Lindh, AI Krylov The Journal of chemical physics 134 (3), 2011 | 54 | 2011 |
