Fast vibrational calculation of anharmonic OH-stretch frequencies for two low-energy noradrenaline conformers

Journal of Chemical Physics

Volumn 129, Issue 23, 2008, Pages

  Benoit, David M ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SECURITY OF DATA; STORM SEWERS; SYNTHETIC APERTURES;

AB INITIO CALCULATIONS; ALIPHATIC ALCOHOLS; COUPLING TECHNIQUES; DIRECT CALCULATIONS; ENERGY CONFORMERS; MODE COUPLINGS; MOLECULAR SYSTEMS; NEW APPROACHES; NORADRENALINE CONFORMERS; SELF-CONSISTENT FIELDS; TIME GAINS; VIBRATIONAL CALCULATIONS; VIBRATIONAL FREQUENCIES; VIBRATIONAL SIGNATURES;

POTENTIAL ENERGY;

HYDROXIDE; HYDROXIDE ION; NORADRENALIN; UNCLASSIFIED DRUG;

ARTICLE; CHEMISTRY; CONFORMATION; ISOMERISM; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS; TIME; VIBRATION;

HYDROXIDES; ISOMERISM; MOLECULAR CONFORMATION; NOREPINEPHRINE; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS; TIME FACTORS; VIBRATION;

EID: 57849102074     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3040427     Document Type: Article

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