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Volumn 115, Issue 4, 2011, Pages 453-459

Microwave, high-resolution infrared, and quantum chemical investigations of CHBrF2: Ground and v4) 1 states

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; COMPUTATIONAL INVESTIGATION; COUPLED CLUSTERS; COUPLING CONSTANTS; DISTORTION CONSTANTS; DOPPLER RESOLUTION; FUNDAMENTAL BANDS; HIGH RESOLUTION; HYPERFINE PARAMETERS; INFRARED MEASUREMENTS; PERTURBATION THEORY; QUADRUPOLES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL INVESTIGATION; RELATIVISTIC EFFECTS; ROTATIONAL STRUCTURES; SECOND ORDERS; SPECTRA ANALYSIS; SPECTROSCOPIC PARAMETERS; SPIN-ROTATION INTERACTION; SUBMILLIMETERS; SYNCHROTRON RADIATION SOURCE; VIBRATIONAL GROUND STATE;

EID: 79851502272     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp110510v     Document Type: Article
Times cited : (26)

References (47)
  • 10
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    • Montreal Protocol on Substances that deplete the ozone layer as either adjusted and/or amended in London 1990, Copenhagen 1992, Vienna 1995, Montreal 1997, Beijing 1999, UNEP, Ozone Secretariat United Nations Environment Programme, Nairobi, Kenya, 2000; web site
    • The Montreal Protocol on Substances that deplete the ozone layer as either adjusted and/or amended in London 1990, Copenhagen 1992, Vienna 1995, Montreal 1997, Beijing 1999, UNEP, Ozone Secretariat United Nations Environment Programme, Nairobi, Kenya, 2000; web site: http://www.unep.org/ozone.
  • 27
    • 79851493742 scopus 로고    scopus 로고
    • Stopkowicz, S.; Harding, M. E.; Puzzarini, C.; Gauss, J. Unpublished work
    • Stopkowicz, S.; Harding, M. E.; Puzzarini, C.; Gauss, J. Unpublished work.
  • 39
    • 79851482247 scopus 로고    scopus 로고
    • CFOUR Coupled Cluster techniques for Computational Chemistry, a quantum-chemical program package by Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G., with contributions from Auer, A. A.; Bartlett, R. J.; Benedikt, U.; Berger, C.; Bernholdt, D. E.; Bomble, Y. J.; Cheng, L.; Christiansen, O.; Heckert, M.; Heun, O.; Huber, C.; Jagau, T.-C.; Jonsson, D.; Juselius, J.; Klein, K.; Lauderdale, W. J.; Matthews, D.; Metzroth, T.; O'Neill, D. P.; Price, D. R.; Prochnow, E.; Ruud, K.; Schiffmann, F.; Schwalbach, W.; Stopkowicz, S.; Tajti, A.; Vázquez, J.; Wang, F.; Watts, J. D. and the integral packages MOLECULE by Almlöf, J.; Tylor, P. R., PROPS by Taylor, P. R., ABACUS by Helgaker, T.; Aa. Jensen, H. J.; Jørgensen, P.; Olsen, J., and ECP routines by Mitin, A. V.; van Wüllen, C, For the current version, see
    • CFOUR (Coupled Cluster techniques for Computational Chemistry), a quantum-chemical program package by Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G., with contributions from Auer, A. A.; Bartlett, R. J.; Benedikt, U.; Berger, C.; Bernholdt, D. E.; Bomble, Y. J.; Cheng, L.; Christiansen, O.; Heckert, M.; Heun, O.; Huber, C.; Jagau, T.-C.; Jonsson, D.; Juselius, J.; Klein, K.; Lauderdale, W. J.; Matthews, D.; Metzroth, T.; O'Neill, D. P.; Price, D. R.; Prochnow, E.; Ruud, K.; Schiffmann, F.; Schwalbach, W.; Stopkowicz, S.; Tajti, A.; Vázquez, J.; Wang, F.; Watts, J. D. and the integral packages MOLECULE by Almlöf, J.; Tylor, P. R., PROPS by Taylor, P. R., ABACUS by Helgaker, T.; Aa. Jensen, H. J.; Jørgensen, P.; Olsen, J., and ECP routines by Mitin, A. V.; van Wüllen, C. For the current version, see: http://www.cfour.de.
  • 47
    • 79851470509 scopus 로고    scopus 로고
    • measured transition frequencies of the vibrational states investigated, not reported in the paper, are available from the authors upon request
    • The measured transition frequencies of the vibrational states investigated, not reported in the paper, are available from the authors upon request.


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