Effective Fragment Molecular Orbital Method: A Merger of the Effective Fragment Potential and Fragment Molecular Orbital Methods

Casper Steinmann, Dmitri G. Fedorov, Jan Halborg Jensen

Research output: Contribution to journal › Journal article › Research › peer-review

Original language	English
Journal	Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volume	114
Issue number	33
Pages (from-to)	8705-8712
Number of pages	8
ISSN	1089-5639
DOIs	https://doi.org/10.1021/jp101498m
Publication status	Published - 1 Aug 2010
Externally published	Yes

Access to Document

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title = "Effective Fragment Molecular Orbital Method: A Merger of the Effective Fragment Potential and Fragment Molecular Orbital Methods",

author = "Casper Steinmann and Fedorov, {Dmitri G.} and Jensen, {Jan Halborg}",

year = "2010",

month = aug,

day = "1",

doi = "10.1021/jp101498m",

language = "English",

volume = "114",

pages = "8705--8712",

journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "33",

}

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Effective Fragment Molecular Orbital Method

T2 - A Merger of the Effective Fragment Potential and Fragment Molecular Orbital Methods

AU - Steinmann, Casper

AU - Fedorov, Dmitri G.

AU - Jensen, Jan Halborg

PY - 2010/8/1

Y1 - 2010/8/1

U2 - 10.1021/jp101498m

DO - 10.1021/jp101498m

M3 - Journal article

SN - 1089-5639

VL - 114

SP - 8705

EP - 8712

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

IS - 33

ER -