ABEEM/MM OH- Models for OH-(H2O)(n) Clusters and Aqueous OH-: Structures, Charge Distributions, and Binding Energies

Shi, H; Gong, LD; Liu, C; Lu, LN; Yang, ZZ

Gong, LD; Yang, ZZ (corresponding author), Liaoning Normal Univ, Sch Chem & Chem Engn, Dalian 116029, Peoples R China.

JOURNAL OF PHYSICAL CHEMISTRY A, 2020; 124 (28): 5963

Abstract

Based on the atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM), two fluctuating charge models of OH-water syst......

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