Charge equilibration for molecular dynamics simulations

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 1991-04, Vol.95 (8), p.3358-3363
Main Authors: Rappe, Anthony K, Goddard, William A
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
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ISSN:0022-3654
1541-5740
DOI:10.1021/j100161a070