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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.
I:
Journal of Chemical Physics, Bind 134, Nr. 4, 25.01.2011, s. 044514.
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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, bind 134, nr. 4, s. 044514.
https://doi.org/10.1063/1.3546033APA
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/10.1063/1.3546033Vancouver
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/10.1063/1.3546033Author
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. I: Journal of Chemical Physics. 2011 ; Bind 134, Nr. 4. s. 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 = jan,
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
C2 - 21280755
VL - 134
SP - 044514
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
SN - 0021-9606
IS - 4
ER -
