Ab Initio calculation of the rotational spectrum of CH5+ and CD5+

Journal of Physical Chemistry A

Volumn 101, Issue 36, 1997, Pages 6746-6752

  East, Allan L L ^a   Kolbuszewski, M ^a   Bunker, P R ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROTONS; SPECTRUM ANALYSIS;

FLIP TUNNELING; ROTATION TORSION HAMILTONIAN; ROTATIONAL SPECTRUM; TOLUIDINE;

HYDROCARBONS;

EID: 0031553033     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9704628     Document Type: Article

References (11)

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10. i constants for B and C, which is all we need, is unaffected by these resonances.
11. Müller, H.; Kutzelnigg, W.; Noga, J.; Klopper, W. J. Chem. Phys. 1997, 106, 1863.