Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations

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Standard

Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations. / Bak, Børge; Nicolaisen, Flemming M.; Nielsen, Ole J.; Skaarup, Steen.

I: Journal of Molecular Structure: THEOCHEM, Bind 51, Nr. C, 01.01.1979, s. 17-26.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Bak, B, Nicolaisen, FM, Nielsen, OJ & Skaarup, S 1979, 'Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations', Journal of Molecular Structure: THEOCHEM, bind 51, nr. C, s. 17-26. https://doi.org/10.1016/0022-2860(79)80265-3

APA

Bak, B., Nicolaisen, F. M., Nielsen, O. J., & Skaarup, S. (1979). Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations. Journal of Molecular Structure: THEOCHEM, 51(C), 17-26. https://doi.org/10.1016/0022-2860(79)80265-3

Vancouver

Bak B, Nicolaisen FM, Nielsen OJ, Skaarup S. Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations. Journal of Molecular Structure: THEOCHEM. 1979 jan. 1;51(C):17-26. https://doi.org/10.1016/0022-2860(79)80265-3

Author

Bak, Børge ; Nicolaisen, Flemming M. ; Nielsen, Ole J. ; Skaarup, Steen. / Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations. I: Journal of Molecular Structure: THEOCHEM. 1979 ; Bind 51, Nr. C. s. 17-26.

Bibtex

@article{c05fb955a01f4aac9408708ef4523a2c,
title = "Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations",
abstract = "Infrared gas phase spectra of ONCN, ONC15N, ON13CN, O15NCN, 18ONCN, O15NC15N, O15N13CN, 18ONC15N and 18ON13CN have been recorded. A general harmonic force field (with six constraints) has been derived based on the assigned fundamental vibration frequencies and checked by calculation of experimental values for centrifugal distortion constants, a Coriolis coupling constant and the inertial defect. The harmonic force field of a fully optimized structure of ONCN as found by the Pulay force method is reported and compared to the experimental force field. No essential disagreements were found.",
author = "B{\o}rge Bak and Nicolaisen, {Flemming M.} and Nielsen, {Ole J.} and Steen Skaarup",
year = "1979",
month = jan,
day = "1",
doi = "10.1016/0022-2860(79)80265-3",
language = "English",
volume = "51",
pages = "17--26",
journal = "Computational and Theoretical Chemistry",
issn = "2210-271X",
publisher = "Elsevier",
number = "C",

}

RIS

TY - JOUR

T1 - Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations

AU - Bak, Børge

AU - Nicolaisen, Flemming M.

AU - Nielsen, Ole J.

AU - Skaarup, Steen

PY - 1979/1/1

Y1 - 1979/1/1

N2 - Infrared gas phase spectra of ONCN, ONC15N, ON13CN, O15NCN, 18ONCN, O15NC15N, O15N13CN, 18ONC15N and 18ON13CN have been recorded. A general harmonic force field (with six constraints) has been derived based on the assigned fundamental vibration frequencies and checked by calculation of experimental values for centrifugal distortion constants, a Coriolis coupling constant and the inertial defect. The harmonic force field of a fully optimized structure of ONCN as found by the Pulay force method is reported and compared to the experimental force field. No essential disagreements were found.

AB - Infrared gas phase spectra of ONCN, ONC15N, ON13CN, O15NCN, 18ONCN, O15NC15N, O15N13CN, 18ONC15N and 18ON13CN have been recorded. A general harmonic force field (with six constraints) has been derived based on the assigned fundamental vibration frequencies and checked by calculation of experimental values for centrifugal distortion constants, a Coriolis coupling constant and the inertial defect. The harmonic force field of a fully optimized structure of ONCN as found by the Pulay force method is reported and compared to the experimental force field. No essential disagreements were found.

UR - http://www.scopus.com/inward/record.url?scp=4043128978&partnerID=8YFLogxK

U2 - 10.1016/0022-2860(79)80265-3

DO - 10.1016/0022-2860(79)80265-3

M3 - Journal article

AN - SCOPUS:4043128978

VL - 51

SP - 17

EP - 26

JO - Computational and Theoretical Chemistry

JF - Computational and Theoretical Chemistry

SN - 2210-271X

IS - C

ER -

ID: 214011182