Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics

Andreas Møgelhøj, Aidas Kestutis, Kurt V Mikkelsen, Stephan P.A Sauer, Jacob Kongsted

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

OriginalsprogEngelsk
TidsskriftJournal of Chemical Physics
Vol/bind130
Sider (fra-til)134508
ISSN0021-9606
DOI
StatusUdgivet - 2009

Citer dette

Møgelhøj, Andreas ; Kestutis, Aidas ; Mikkelsen, Kurt V ; Sauer, Stephan P.A ; Kongsted, Jacob. / Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics. I: Journal of Chemical Physics. 2009 ; Bind 130. s. 134508.
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doi = "10.1063/1.3098255",
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Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics. / Møgelhøj, Andreas; Kestutis, Aidas; Mikkelsen, Kurt V; Sauer, Stephan P.A; Kongsted, Jacob.

I: Journal of Chemical Physics, Bind 130, 2009, s. 134508.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics

AU - Møgelhøj, Andreas

AU - Kestutis, Aidas

AU - Mikkelsen, Kurt V

AU - Sauer, Stephan P.A

AU - Kongsted, Jacob

PY - 2009

Y1 - 2009

U2 - 10.1063/1.3098255

DO - 10.1063/1.3098255

M3 - Journal article

VL - 130

SP - 134508

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

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