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Proposed use of charge—density contour maps from Ab initio SCF calculations to calibrate sphere sizes for the MS —Xα method
Author(s) -
Kaufman Joyce J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070744
Subject(s) - ab initio , charge (physics) , quantum chemistry , theoretical physics , citation , library science , physics , chemistry , quantum mechanics , computer science , molecule , supramolecular chemistry
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