Density funtional restricted-unrestricted/molecular mechanics theory for hyperfine coupling constants of molecules in solution

Z. Rinkevicius, N.A. Murugan, Jacob Kongsted, F. Bogdan, A.H. Steindal, H. Ågren

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

OriginalsprogEngelsk
TidsskriftJournal of Chemical Theory and Computation
Vol/bind7
Udgave nummer10
Sider (fra-til)3261-3271
ISSN1549-9618
DOI
StatusUdgivet - 2011

Citer dette

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title = "Density funtional restricted-unrestricted/molecular mechanics theory for hyperfine coupling constants of molecules in solution",
author = "Z. Rinkevicius and N.A. Murugan and Jacob Kongsted and F. Bogdan and A.H. Steindal and H. {\AA}gren",
year = "2011",
doi = "10.1021/ct2003572",
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Density funtional restricted-unrestricted/molecular mechanics theory for hyperfine coupling constants of molecules in solution. / Rinkevicius, Z.; Murugan, N.A.; Kongsted, Jacob; Bogdan, F.; Steindal, A.H.; Ågren, H.

I: Journal of Chemical Theory and Computation, Bind 7, Nr. 10, 2011, s. 3261-3271.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Density funtional restricted-unrestricted/molecular mechanics theory for hyperfine coupling constants of molecules in solution

AU - Rinkevicius, Z.

AU - Murugan, N.A.

AU - Kongsted, Jacob

AU - Bogdan, F.

AU - Steindal, A.H.

AU - Ågren, H.

PY - 2011

Y1 - 2011

U2 - 10.1021/ct2003572

DO - 10.1021/ct2003572

M3 - Journal article

VL - 7

SP - 3261

EP - 3271

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

SN - 1549-9618

IS - 10

ER -