Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

Journal of the American Chemical Society - Tập 118 Số 45 - Trang 11225-11236 - 1996
William L. Jorgensen1, David S. Maxwell1, Julian Tirado‐Rives1
1Contribution from the Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107

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