Hybrid molecular dynamics-quantum mechanics simulations of solute spectral properties in the condensed phase: Evaluation of simulation parameters

Matthew C. Zwier, Justin M. Shorb, Brent P. Krueger. Hybrid molecular dynamics-quantum mechanics simulations of solute spectral properties in the condensed phase: Evaluation of simulation parameters. Journal of Computational Chemistry, 28(9):1572-1581, 2007. [doi]

Abstract

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