Electrostatic DFT map for the complete vibrational amide band of NMA

Journal of Physical Chemistry A

Volumn 109, Issue 43, 2005, Pages 9747-9759

  Hayashi, Tomoyuki ^a   Zhuang, Wei ^a   Mukamel, Shaul ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOCORRELATION FUNCTIONS; BOND LENGTHS; N-METHYL ACETAMIDE (NMA); ZWITTERIONIC RESONANCE;

COMPUTER SIMULATION; ELECTRIC FIELDS; ELECTROSTATICS; HAMILTONIANS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NITROGEN COMPOUNDS; OSCILLATIONS; OXYGEN; PROBABILITY DENSITY FUNCTION; RESONANCE; SOLVENTS; TENSORS; WATER;

MOLECULAR VIBRATIONS;

AMIDE; SOLVENT;

ARTICLE; CHEMISTRY; ELECTRICITY;

AMIDES; ELECTROSTATICS; SOLVENTS;

EID: 27744526374     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052324l     Document Type: Article

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