Conversion of ab-initio force fields and structures to molecular mechanics energy functions
- 31 December 1991
- journal article
- Published by Elsevier in Computers & Chemistry
- Vol. 15 (3) , 249-250
- https://doi.org/10.1016/0097-8485(91)80013-c
Abstract
No abstract availableKeywords
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- Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acidThe Journal of Physical Chemistry, 1978