Open AccessEwald-based methods for Gaussian integral evaluation: application to a new parameterization of GEM*
Author(s) -
Robert E. Duke,
G. Andrés Cisneros
Publication year - 2019
Publication title -
journal of molecular modeling
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.363
H-Index - 69
eISSN - 1610-2940
pISSN - 0948-5023
DOI - 10.1007/s00894-019-4194-1
Subject(s) - molecular dynamics , gaussian , statistical physics , hermite polynomials , force field (fiction) , physics , computational physics , computer science , computational chemistry , quantum mechanics , chemistry
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