| Calculation of solvation free energies of charged solutes using mixed cluster/continuum models VS Bryantsev, MS Diallo, WA Goddard Iii The Journal of Physical Chemistry B 112 (32), 9709-9719, 2008 | 697 | 2008 |
| Evaluation of B3LYP, X3LYP, and M06-class density functionals for predicting the binding energies of neutral, protonated, and deprotonated water clusters VS Bryantsev, MS Diallo, ACT Van Duin, WA Goddard III Journal of Chemical Theory and Computation 5 (4), 1016-1026, 2009 | 403 | 2009 |
| Predicting Solvent Stability in Aprotic Electrolyte Li–Air Batteries: Nucleophilic Substitution by the Superoxide Anion Radical (O2•–) VS Bryantsev, V Giordani, W Walker, M Blanco, S Zecevic, K Sasaki, ... The Journal of Physical Chemistry A 115 (44), 12399-12409, 2011 | 397 | 2011 |
| A Rechargeable Li–O2 Battery Using a Lithium Nitrate/N,N-Dimethylacetamide Electrolyte W Walker, V Giordani, J Uddin, VS Bryantsev, GV Chase, D Addison Journal of the American Chemical Society 135 (6), 2076-2079, 2013 | 384 | 2013 |
| Bio-inspired nano-traps for uranium extraction from seawater and recovery from nuclear waste Q Sun, B Aguila, J Perman, AS Ivanov, VS Bryantsev, LD Earl, CW Abney, ... Nature communications 9 (1), 1644, 2018 | 370 | 2018 |
| Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes OB Berryman, VS Bryantsev, DP Stay, DW Johnson, BP Hay Journal of the American Chemical Society 129 (1), 48-58, 2007 | 360 | 2007 |
| PAMAM dendrimers undergo pH responsive conformational changes without swelling Y Liu, VS Bryantsev, MS Diallo, WA Goddard Iii Journal of the American Chemical Society 131 (8), 2798-2799, 2009 | 319 | 2009 |
| The identification of stable solvents for nonaqueous rechargeable Li-air batteries VS Bryantsev, J Uddin, V Giordani, W Walker, D Addison, GV Chase Journal of The Electrochemical Society 160 (1), A160, 2012 | 226 | 2012 |
| Computational study of the mechanisms of superoxide-induced decomposition of organic carbonate-based electrolytes VS Bryantsev, M Blanco The Journal of Physical Chemistry Letters 2 (5), 379-383, 2011 | 219 | 2011 |
| Anion–arene adducts: C–H hydrogen bonding, anion–π interaction, and carbon bonding motifs BP Hay, VS Bryantsev Chemical communications, 2417-2428, 2008 | 211 | 2008 |
| Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases ACT Van Duin, VS Bryantsev, MS Diallo, WA Goddard, O Rahaman, ... The Journal of Physical Chemistry A 114 (35), 9507-9514, 2010 | 196 | 2010 |
| Are C−H Groups Significant Hydrogen Bonding Sites in Anion Receptors? Benzene Complexes with Cl-, NO3-, and ClO4- VS Bryantsev, BP Hay Journal of the American Chemical Society 127 (23), 8282-8283, 2005 | 193 | 2005 |
| Predicting autoxidation stability of ether-and amide-based electrolyte solvents for Li–air batteries VS Bryantsev, F Faglioni The Journal of Physical Chemistry A 116 (26), 7128-7138, 2012 | 179 | 2012 |
| pKa Calculations of Aliphatic Amines, Diamines, and Aminoamides via Density Functional Theory with a Poisson−Boltzmann Continuum Solvent Model VS Bryantsev, MS Diallo, WA Goddard The Journal of Physical Chemistry A 111 (20), 4422-4430, 2007 | 172 | 2007 |
| Experimental and Computational Analysis of the Solvent‐Dependent O2/Li+‐O2− Redox Couple: Standard Potentials, Coupling Strength, and Implications for … DG Kwabi, VS Bryantsev, TP Batcho, DM Itkis, CV Thompson, ... Angewandte chemie 128 (9), 3181-3186, 2016 | 159 | 2016 |
| XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies CW Abney, RT Mayes, M Piechowicz, Z Lin, VS Bryantsev, GM Veith, ... Energy & Environmental Science 9 (2), 448-453, 2016 | 140 | 2016 |
| Influence of Substituents on the Strength of Aryl C− H⊙⊙⊙ Anion Hydrogen Bonds VS Bryantsev, BP Hay Organic Letters 7 (22), 5031-5034, 2005 | 140 | 2005 |
| Computational study of copper (II) complexation and hydrolysis in aqueous solutions using mixed cluster/continuum models VS Bryantsev, MS Diallo, WA Goddard III The Journal of Physical Chemistry A 113 (34), 9559-9567, 2009 | 130 | 2009 |
| Lithium Nitrate As Regenerable SEI Stabilizing Agent for Rechargeable Li/O2 Batteries J Uddin, VS Bryantsev, V Giordani, W Walker, GV Chase, D Addison The Journal of Physical Chemistry Letters 4 (21), 3760-3765, 2013 | 125 | 2013 |
| Hydration of copper (II): new insights from density functional theory and the COSMO solvation model VS Bryantsev, MS Diallo, ACT Van Duin, WA Goddard III The Journal of Physical Chemistry A 112 (38), 9104-9112, 2008 | 123 | 2008 |
