Full dimensional quantum calculations of vibrational energies of N-methyl acetamide

Journal of Physical Chemistry A

Volumn 111, Issue 25, 2007, Pages 5593-5598

  Kaledin, A L ^a   Bowman, J M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE BANDS; ELECTRONIC ENERGIES; PLESSET PERTURBATION THEORY; THREE-MODE POTENTIALS; VIBRATIONAL ENERGIES;

AMINES; CORRELATION METHODS; HIERARCHICAL SYSTEMS; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES;

QUANTUM CHEMISTRY;

ACETAMIDE DERIVATIVE; AMIDE; N METHYLACETAMIDE; N-METHYLACETAMIDE; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

ACETAMIDES; ALGORITHMS; AMIDES; ELECTRONS; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; VIBRATION;

EID: 34547260126     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0723822     Document Type: Article

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