Development of a Knowledge-Based Potential for Crystals of Small Organic Molecules: Calculation of Energy Surfaces for C=O...H-N Hydrogen Bonds.

Citation:

B. A. Grzybowski, A. V. Ishchenko, R. S. DeWitte, G. M. Whitesides, and E. I. Shakhnovich. 2001. “Development of a Knowledge-Based Potential for Crystals of Small Organic Molecules: Calculation of Energy Surfaces for C=O..H-N Hydrogen Bonds.” Journal of Physical Chemistry A, 104, Pp. 7293-7298.
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Last updated on 01/10/2019