Covalent bond fragmentation suitable to describe surfaces in the fragment molecular orbital method

Dmitri G. Fedorov, Ramesh C. Deka, Kazuo Kitaura, Jan Halborg Jensen

58 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Journal of Physical Chemistry A
Vol/bind	112
Sider (fra-til)	11808–11816
ISSN	1089-5639
DOI	https://doi.org/10.1021/jp805435n
Status	Udgivet - 2008

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title = "Covalent bond fragmentation suitable to describe surfaces in the fragment molecular orbital method",

author = "Fedorov, {Dmitri G.} and Deka, {Ramesh C.} and Kazuo Kitaura and Jensen, {Jan Halborg}",

year = "2008",

doi = "10.1021/jp805435n",

language = "English",

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journal = "Journal of Physical Chemistry A",

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T1 - Covalent bond fragmentation suitable to describe surfaces in the fragment molecular orbital method

AU - Fedorov, Dmitri G.

AU - Deka, Ramesh C.

AU - Kitaura, Kazuo

AU - Jensen, Jan Halborg

PY - 2008

Y1 - 2008

U2 - 10.1021/jp805435n

DO - 10.1021/jp805435n

M3 - Journal article

SN - 1089-5639

VL - 112

SP - 11808

EP - 11816

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

ER -