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

Research output: Contribution to journalJournal article

Standard

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: Journal of Chemical Physics, Vol. 134, No. 4, 25.01.2011, p. 044514.

Research output: Contribution to journalJournal article

Harvard

Kjær, H, Sauer, SPA & Kongsted, J 2011, 'Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide', Journal of Chemical Physics, vol. 134, no. 4, pp. 044514. https://doi.org/10.1063/1.3546033

APA

Kjær, H., Sauer, S. P. A., & Kongsted, J. (2011). Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide. Journal of Chemical Physics, 134(4), 044514. https://doi.org/10.1063/1.3546033

Vancouver

Kjær H, Sauer SPA, Kongsted J. Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide. Journal of Chemical Physics. 2011 Jan 25;134(4):044514. https://doi.org/10.1063/1.3546033

Author

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

Bibtex

@article{69fe266fb8b64b888faea89c95f71a29,
title = "Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide",
keywords = "Faculty of Science",
author = "Hanna Kj{\ae}r and Sauer, {Stephan P. A.} and Jacob Kongsted",
year = "2011",
month = "1",
day = "25",
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",

}

RIS

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 - 2011/1/25

Y1 - 2011/1/25

KW - Faculty of Science

U2 - 10.1063/1.3546033

DO - 10.1063/1.3546033

M3 - Journal article

VL - 134

SP - 044514

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

IS - 4

ER -

ID: 32245427