Anharmonic vibrational spectroscopy calculations for proton-bound amino acid dimers

Journal of Physical Chemistry A

Volumn 113, Issue 10, 2009, Pages 1905-1912

  Adesokan, Adeyemi A ^a   Gerber, R B ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MP2; ACID DIMERS; ANHARMONIC; ANHARMONIC COUPLINGS; ANHARMONIC FREQUENCIES; ANHARMONIC VIBRATIONAL FREQUENCIES; ANHARMONICITY; AVERAGE DEVIATIONS; GAS-PHASE; HARMONIC APPROXIMATIONS; HARMONIC FREQUENCIES; HARMONIC LEVELS; INTERMOLECULAR BRIDGES; NORMAL MODES; O-H BONDS; ORDER OF MAGNITUDES; SELF-CONSISTENT FIELDS; SEMI-EMPIRICAL;

AMINES; AMINO ACIDS; CARBOXYLATION; ELECTRONIC STRUCTURE; ELECTROSPRAY IONIZATION; EXPERIMENTS; HYDROGEN; IONIZATION OF GASES; OLIGOMERS; ORGANIC ACIDS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROTONS; QUANTUM CHEMISTRY; SECURITY OF DATA;

HARMONIC ANALYSIS;

DIPEPTIDE; GLYCYLGLYCINE; GLYCYLLYSINE; PROTON;

ARTICLE; BIOLOGY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ENERGY TRANSFER; PHASE TRANSITION; SPECTROSCOPY; THERMODYNAMICS; VIBRATION;

COMPUTATIONAL BIOLOGY; DIPEPTIDES; ENERGY TRANSFER; GLYCYLGLYCINE; MODELS, CHEMICAL; MODELS, MOLECULAR; PHASE TRANSITION; PROTONS; SPECTRUM ANALYSIS; THERMODYNAMICS; VIBRATION;

EID: 63849154450     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp807106h     Document Type: Article

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