Scaling of computed cyano-stretching frequencies and ir intensities of nitriles, their anions, and radicals

Journal of Physical Chemistry A

Volumn 114, Issue 15, 2010, Pages 5149-5161

  Stoyanov, Simeon S ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DATA POINTS; HF THEORY; INFRARED INTENSITY; IR INTENSITIES; MEAN DEVIATION; SCALE FACTOR; SCALING EQUATIONS; SPECTROSCOPIC FEATURES; STRETCHING FREQUENCY; VIBRATIONAL FREQUENCIES;

CYANIDES;

IONS;

EID: 77951134176     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp908400g     Document Type: Article

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