Randall J. Radmer, Peter A. Kollman Free energy calculation methods: A theoretical and empirical comparison of numerical errors and a new method qualitative estimates of free energy changes. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:7, pp:902-919 [Journal]
Dennis S. Marynick Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions. I. Electrostatic potential derived atomic charges. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 1997, v:18, n:7, pp:955-969 [Journal]
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