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Results 1-6 of 6 (Search time: 0.006 seconds).

NO Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date)
1
pK(a) calculations of aliphatic amines, diamines, and aminoamides via density functional theory with a Poisson-Boltzmann continuum solvent model

Bryantsev, VS; Diallo, Mamadou S; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY A, v.111, no.20, pp.4422 - 4430, 2007-05

2
Hydration of copper(II): New insights from density functional theory and the COSMO solvation model

Bryantsev, VS; Diallo, Mamadou S; van Duin, ACT; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY A, v.112, no.38, pp.9104 - 9112, 2008-09

3
Calculation of solvation free energies of charged solutes using mixed cluster/continuum models

Bryantsev, VS; Diallo, Mamadou S; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY B, v.112, no.32, pp.9709 - 9719, 2008-08

4
Two-electron three-centered bond in side-on (eta(2)) uranyl(V) superoxo complexes

Bryantsev, VS; de Jong, WA; Cossel, KC; Diallo, Mamadou S; Goddard, WA; Groenewold, GS; Chien, W; Van Stipdonk, MJ, JOURNAL OF PHYSICAL CHEMISTRY A, v.112, no.26, pp.5777 - 5780, 2008-07

5
PAMAM Dendrimers Undergo pH Responsive Conformational Changes without Swelling

Liu, Y; Bryantsev, VS; Diallo, Mamadou S; Goddard, WA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.8, pp.2798 - 2798, 2009-03

6
Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters

Bryantsev, VS; Diallo, Mamadou S; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.5, no.4, pp.1016 - 1026, 2009-04

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