Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

Hanna Kjær; Stephan P.A. Sauer; Jacob Kongsted

doi:10.1063/1.3546033

Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

Hanna Kjær
, Stephan P.A. Sauer
, Jacob Kongsted

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

Original language	English
Journal	The Journal of Chemical Physics
Volume	134
Issue number	4
Pages (from-to)	044514
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.3546033
Publication status	Published - 2011

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Cite this

@article{559df7f3d56d48919a6aa6395940eca1,

title = "Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide",

author = "Hanna Kj{\ae}r and Sauer, \{Stephan P.A.\} and Jacob Kongsted",

year = "2011",

doi = "10.1063/1.3546033",

language = "English",

volume = "134",

pages = "044514",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "4",

}

Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide. / Kjær, Hanna; Sauer, Stephan P.A.; Kongsted, Jacob.
In: The Journal of Chemical Physics, Vol. 134, No. 4, 2011, p. 044514.

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

TY - JOUR

T1 - Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

AU - Kjær, Hanna

AU - Sauer, Stephan P.A.

AU - Kongsted, Jacob

PY - 2011

Y1 - 2011

U2 - 10.1063/1.3546033

DO - 10.1063/1.3546033

M3 - Journal article

SN - 0021-9606

VL - 134

SP - 044514

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 4

ER -