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Vyacheslav Bryantsev
Vyacheslav Bryantsev
在 ornl.gov 的电子邮件经过验证 - 首页
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引用次数
引用次数
年份
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
6972008
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
4032009
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
3972011
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
3842013
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
3702018
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
3602007
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
3192009
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
2262012
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
2192011
Anion–arene adducts: C–H hydrogen bonding, anion–π interaction, and carbon bonding motifs
BP Hay, VS Bryantsev
Chemical communications, 2417-2428, 2008
2112008
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
1962010
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
1932005
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
1792012
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
1722007
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
1592016
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
1402016
Influence of Substituents on the Strength of Aryl C− H⊙⊙⊙ Anion Hydrogen Bonds
VS Bryantsev, BP Hay
Organic Letters 7 (22), 5031-5034, 2005
1402005
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
1302009
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
1252013
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
1232008
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