| 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 | 2914 | 2015 |
| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2892 | 2006 |
| Fragmentation methods: A route to accurate calculations on large systems MS Gordon, DG Fedorov, SR Pruitt, LV Slipchenko Chemical reviews 112 (1), 632-672, 2012 | 1028 | 2012 |
| Recent developments in the general atomic and molecular electronic structure system GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... The Journal of chemical physics 152 (15), 2020 | 775 | 2020 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package et al Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng, Joonho Lee ... The Journal of Chemical Physics 155, 084801, 2021 | 538 | 2021 |
| Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study LV Slipchenko, AI Krylov The Journal of chemical physics 117 (10), 4694-4708, 2002 | 379 | 2002 |
| Accurate methods for large molecular systems MS Gordon, JM Mullin, SR Pruitt, LB Roskop, LV Slipchenko, JA Boatz The Journal of Physical Chemistry B 113 (29), 9646-9663, 2009 | 218 | 2009 |
| Conformationally locked chromophores as models of excited-state proton transfer in fluorescent proteins MS Baranov, KA Lukyanov, AO Borissova, J Shamir, D Kosenkov, ... Journal of the American Chemical Society 134 (13), 6025-6032, 2012 | 183 | 2012 |
| Accurate first principles model potentials for intermolecular interactions MS Gordon, QA Smith, P Xu, LV Slipchenko Annual review of physical chemistry 64, 553-578, 2013 | 171 | 2013 |
| π-Hydrogen bonding in liquid water KP Gierszal, JG Davis, MD Hands, DS Wilcox, LV Slipchenko, ... The Journal of Physical Chemistry Letters 2 (22), 2930-2933, 2011 | 161 | 2011 |
| Solvation of the excited states of chromophores in polarizable environment: Orbital relaxation versus polarization LV Slipchenko The Journal of Physical Chemistry A 114 (33), 8824-8830, 2010 | 152 | 2010 |
| Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study D Kosenkov, LV Slipchenko The Journal of Physical Chemistry A 115 (4), 392-401, 2011 | 146 | 2011 |
| Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer LV Slipchenko, MS Gordon Journal of computational chemistry 28 (1), 276-291, 2007 | 144 | 2007 |
| Assessing Cholesterol Storage in Live Cells and C. elegans by Stimulated Raman Scattering Imaging of Phenyl-Diyne Cholesterol HJ Lee, W Zhang, D Zhang, Y Yang, B Liu, EL Barker, KK Buhman, ... Scientific reports 5 (1), 7930, 2015 | 140 | 2015 |
| Noncovalent interactions in extended systems described by the effective fragment potential method: Theory and application to nucleobase oligomers D Ghosh, D Kosenkov, V Vanovschi, CF Williams, JM Herbert, MS Gordon, ... The Journal of Physical Chemistry A 114 (48), 12739-12754, 2010 | 132 | 2010 |
| Modeling solvent effects on electronic excited states A DeFusco, N Minezawa, LV Slipchenko, F Zahariev, MS Gordon The Journal of Physical Chemistry Letters 2 (17), 2184-2192, 2011 | 130 | 2011 |
| Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations LV Slipchenko, AI Krylov The Journal of chemical physics 123 (8), 2005 | 128 | 2005 |
| Damping functions in the effective fragment potential method LV Slipchenko, MS Gordon Molecular Physics 107 (8-12), 999-1016, 2009 | 126 | 2009 |
| Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies LV Slipchenko, AI Krylov The Journal of chemical physics 118 (15), 6874-6883, 2003 | 126 | 2003 |
| Effect of solvation on the vertical ionization energy of thymine: From microhydration to bulk D Ghosh, O Isayev, LV Slipchenko, AI Krylov The Journal of Physical Chemistry A 115 (23), 6028-6038, 2011 | 116 | 2011 |
Anna KrylovProfessor of Chemistry, University of Southern CaliforniaVerified email at usc.edu
