Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles

Hanna Kjær; Stephan P. A. Sauer; Jacob Kongsted; Yury Yu. Rusakov; Leonid B. Krivdin

doi:10.1016/j.chemphys.2011.01.006

Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles

Hanna Kjær, Stephan P. A. Sauer, Jacob Kongsted, Yury Yu. Rusakov, Leonid B. Krivdin

Department of Chemistry

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

30 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Chemical Physics
Vol/bind	381
Sider (fra-til)	35
Antal sider	43
ISSN	0301-0104
DOI	https://doi.org/10.1016/j.chemphys.2011.01.006
Status	Udgivet - 18 jan. 2011

Emneord

Det Natur- og Biovidenskabelige Fakultet

Adgang til dokumentet

10.1016/j.chemphys.2011.01.006

Citationsformater

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title = "Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles",

keywords = "Faculty of Science, Quantum Chemistry, NMR Spectroscopy, Theoretical Chemistry, Scientific Computing",

author = "Hanna Kj{\ae}r and Sauer, {Stephan P. A.} and Jacob Kongsted and Rusakov, {Yury Yu.} and Krivdin, {Leonid B.}",

year = "2011",

month = jan,

day = "18",

doi = "10.1016/j.chemphys.2011.01.006",

language = "English",

volume = "381",

pages = "35",

journal = "Chemical Physics",

issn = "0301-0104",

publisher = "Elsevier",

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TY - JOUR

T1 - Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles

AU - Kjær, Hanna

AU - Sauer, Stephan P. A.

AU - Kongsted, Jacob

AU - Rusakov, Yury Yu.

AU - Krivdin, Leonid B.

PY - 2011/1/18

Y1 - 2011/1/18

KW - Faculty of Science

KW - Quantum Chemistry

KW - NMR Spectroscopy

KW - Theoretical Chemistry

KW - Scientific Computing

U2 - 10.1016/j.chemphys.2011.01.006

DO - 10.1016/j.chemphys.2011.01.006

M3 - Journal article

VL - 381

SP - 35

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

ER -