Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations

Journal of Physical Chemistry A

Volumn 112, Issue 40, 2008, Pages 10006-10016

  McKean, Donald C ^a   Craig, Norman C ^b   Law, Mark M ^c  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b OBERLIN COLLEGE   (United States)

^c UNIVERSITY OF ABERDEEN   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE; ANHARMONIC CONSTANTS; ANHARMONIC FREQUENCIES; BASIS SETS; CENTRIFUGAL DISTORTION CONSTANTS; CHEMICAL CALCULATIONS; DELETERIOUS EFFECTS; EXPERIMENTAL DATUM; F FUNCTIONS; FERMI RESONANCES; FORCE FIELDS; HARMONIC FORCE FIELDS; HARMONIC FREQUENCIES; INTERACTION FORCES; ISOTOPOMER; PERTURBATION THEORIES; ROTATIONAL CONSTANTS; SCALE FACTORS; SCALING; SCALING PROCESSES; STRETCHING FORCES; VIBRATIONAL ANHARMONICITY; VIBRATIONAL DEPENDENCES;

DICHLOROMETHANE; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY; QUANTUM THEORY; RESONANCE;

HARMONIC ANALYSIS;

EID: 54849408674     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp803881c     Document Type: Article

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