Vibrational frequencies and spectroscopic constants for 1 3A′ HNC and 1 3A′ HOC+ from high-accuracy quartic force fields

Journal of Physical Chemistry A

Volumn 117, Issue 44, 2013, Pages 11339-11345

  Fortenberry, Ryan C ^a,b   Crawford, T Daniel ^c   Lee, Timothy J ^b  

^a GEORGIA SOUTHERN UNIVERSITY   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

^c VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC POTENTIAL; ASTRONOMICAL OBSERVATION; QUANTUM CHEMICAL COMPUTATIONS; QUARTIC FORCE FIELDS; SECOND ORDER PERTURBATION THEORY; SPECTROSCOPIC CONSTANTS; VIBRATIONAL CONFIGURATION-INTERACTION; VIBRATIONAL PERTURBATION THEORY;

ISOMERS; MOLECULES; QUANTUM CHEMISTRY; QUANTUM THEORY;

MOLECULAR VIBRATIONS;

EID: 84887662398     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp408750h     Document Type: Article

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