A well-behaved electrostatic potential based method using...

Journal of Physical Chemistry 1993 / 10 Vol. 97; Iss. 40

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

Bayly, Christopher I., Cieplak, Piotr, Cornell, Wendy, Kollman, Peter A.
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Volume:
97
Language:
english
Journal:
The Journal of Physical Chemistry
DOI:
10.1021/j100142a004
Date:
October, 1993
File:
PDF, 3.54 MB
english, 1993
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