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Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

✍ Scribed by Cygan, Randall T.; Liang, Jian-Jie; Kalinichev, Andrey G.

Book ID
111874065
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
451 KB
Volume
108
Category
Article
ISSN
0022-3654

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## Abstract We present results of developing a methodology suitable for producing molecular mechanics force fields with explicit treatment of electrostatic polarization for proteins and other molecular system of biological interest. The technique allows simulation of realistic‐size systems. Employi