Highly accurate quartic force fields, vibrational frequencies, and spectroscopic constants for cyclic and linear C3H3 +

Journal of Physical Chemistry A

Volumn 115, Issue 19, 2011, Pages 5005-5016

  Huang, Xinchuan ^a,d   Taylor, Peter R ^b,d   Lee, Timothy J ^c,d  

^a SETI INSTITUTE   (United States)

^b UNIVERSITY OF MELBOURNE   (Australia)

^c NASA AMES RESEARCH CENTER   (United States)

^d MS 245 1 ^*  (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ASTRONOMICAL OBSERVATION; BASIS-SET LIMITS; CCSD; CORE CORRELATION; DINGER EQUATION; DOUBLES COUPLED-CLUSTER METHOD; ENERGY DIFFERENCES; GAS-PHASE SPECIES; HIGH RESOLUTION; INFRARED PHOTODISSOCIATION; LABORATORY EXPERIMENTS; MOLECULAR CATIONS; QUARTIC FORCE FIELDS; SECOND ORDER PERTURBATION THEORY; SPECTROSCOPIC CONSTANTS; TRIPLE EXCITATION; VARIATIONAL METHODS; VIBRATIONAL FREQUENCIES;

EXPERIMENTS; POSITIVE IONS;

PERTURBATION TECHNIQUES;

CYCLOPROPANE DERIVATIVE; CYCLOPROPENE; DRUG DERIVATIVE; FREE RADICAL; PROPANE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; SPECTROSCOPY; VIBRATION;

CYCLOPROPANES; FREE RADICALS; PROPANE; QUANTUM THEORY; SPECTRUM ANALYSIS; VIBRATION;

EID: 79956070976     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2019704     Document Type: Article

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