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Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations. / Buczek, Aneta; Kupka, Teobald; Sauer, Stephan P. A.; Broda, Malgorzata A.
I:
Journal of Molecular Modeling, Bind 18, Nr. 6, 2012, s. 2471-2478.
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Harvard
Buczek, A, Kupka, T
, Sauer, SPA & Broda, MA 2012, '
Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations',
Journal of Molecular Modeling, bind 18, nr. 6, s. 2471-2478.
https://doi.org/10.1007/s00894-011-1262-6APA
Buczek, A., Kupka, T.
, Sauer, S. P. A., & Broda, M. A. (2012).
Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations.
Journal of Molecular Modeling,
18(6), 2471-2478.
https://doi.org/10.1007/s00894-011-1262-6Vancouver
Buczek A, Kupka T
, Sauer SPA, Broda MA.
Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations.
Journal of Molecular Modeling. 2012;18(6):2471-2478.
https://doi.org/10.1007/s00894-011-1262-6Author
Buczek, Aneta ; Kupka, Teobald ; Sauer, Stephan P. A. ; Broda, Malgorzata A. / Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations. I: Journal of Molecular Modeling. 2012 ; Bind 18, Nr. 6. s. 2471-2478.
Bibtex
@article{2d0c912090204d44a7a4869c2571259e,
title = "Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations",
keywords = "Faculty of Science, harmonic frequency, anharmonic frequency, Quantum Chemistry, Computational Chemistry, Vibrational Spectroscopy",
author = "Aneta Buczek and Teobald Kupka and Sauer, {Stephan P. A.} and Broda, {Malgorzata A.}",
year = "2012",
doi = "10.1007/s00894-011-1262-6",
language = "English",
volume = "18",
pages = "2471--2478",
journal = "Journal of Molecular Modeling",
issn = "1610-2940",
publisher = "Springer",
number = "6",
}
RIS
TY - JOUR
T1 - Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations
AU - Buczek, Aneta
AU - Kupka, Teobald
AU - Sauer, Stephan P. A.
AU - Broda, Malgorzata A.
PY - 2012
Y1 - 2012
KW - Faculty of Science
KW - harmonic frequency
KW - anharmonic frequency
KW - Quantum Chemistry
KW - Computational Chemistry
KW - Vibrational Spectroscopy
U2 - 10.1007/s00894-011-1262-6
DO - 10.1007/s00894-011-1262-6
M3 - Journal article
VL - 18
SP - 2471
EP - 2478
JO - Journal of Molecular Modeling
JF - Journal of Molecular Modeling
SN - 1610-2940
IS - 6
ER -
