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Chemical Physics Letters

Volumn 597, Issue , 2014, Pages 99-105

Use of an auxiliary basis set to describe the polarization in the fragment molecular orbital method

(2) Fedorov, Dmitri G a Kitaura, Kazuo b

a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST (Japan)

b KOBE UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ORBITALS; ORBITAL CALCULATIONS;

AUXILIARY BASIS SETS; BASIS SETS; CHIGNOLIN; DUAL BASIS; FRAGMENT MOLECULAR ORBITAL; FRAGMENT MOLECULAR ORBITAL METHODS; GEOMETRY OPTIMIZATION; WATER CLUSTER;

POLARIZATION;

EID: 84896296533 PISSN: 00092614 EISSN: None Source Type: Journal
DOI: 10.1016/j.cplett.2014.02.029 Document Type: Article

Times cited : (46)

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