Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation

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Standard

Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation. / Li, Hui; Fedorov, Dmitri G.; Nagata, Takashi; Kitaura, Kazuo; Jensen, Jan Halborg; Gordon, Mark S.

I: Journal of Computational Chemistry, Bind 32, 2010, s. 778-790.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningfagfællebedømt

Harvard

Li, H, Fedorov, DG, Nagata, T, Kitaura, K, Jensen, JH & Gordon, MS 2010, 'Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation', Journal of Computational Chemistry, bind 32, s. 778-790.

APA

Li, H., Fedorov, D. G., Nagata, T., Kitaura, K., Jensen, J. H., & Gordon, M. S. (2010). Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation. Journal of Computational Chemistry, 32, 778-790.

Vancouver

Li H, Fedorov DG, Nagata T, Kitaura K, Jensen JH, Gordon MS. Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation. Journal of Computational Chemistry. 2010;32:778-790.

Author

Li, Hui ; Fedorov, Dmitri G. ; Nagata, Takashi ; Kitaura, Kazuo ; Jensen, Jan Halborg ; Gordon, Mark S. / Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation. I: Journal of Computational Chemistry. 2010 ; Bind 32. s. 778-790.

Bibtex

@article{cf20157017b511df8ed1000ea68e967b,
title = "Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation",
author = "Hui Li and Fedorov, {Dmitri G.} and Takashi Nagata and Kazuo Kitaura and Jensen, {Jan Halborg} and Gordon, {Mark S.}",
note = "Paper id:: 10.1002/jcc.21363",
year = "2010",
language = "English",
volume = "32",
pages = "778--790",
journal = "Journal of Computational Chemistry",
issn = "0192-8651",
publisher = "JohnWiley & Sons, Inc.",

}

RIS

TY - JOUR

T1 - Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation

AU - Li, Hui

AU - Fedorov, Dmitri G.

AU - Nagata, Takashi

AU - Kitaura, Kazuo

AU - Jensen, Jan Halborg

AU - Gordon, Mark S.

N1 - Paper id:: 10.1002/jcc.21363

PY - 2010

Y1 - 2010

M3 - Journal article

VL - 32

SP - 778

EP - 790

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

SN - 0192-8651

ER -

ID: 17581603