Anharmonic vibrational probe for N-methylacetamide in different micro-environments

Vibrational Spectroscopy

Volumn 66, Issue , 2013, Pages 8-13

  Cai, Kaicong ^a   Liu, Diwen ^a   Lou, Chenyu ^a   Lin, Shen ^a  

^a FUJIAN NORMAL UNIVERSITY   (China)

Author keywords

Amide I mode; Anharmonic vibrational frequency; DFT calculations; Solvent effect

Indexed keywords

AMIDE I MODE; AMIDE MODES; ANHARMONIC; ANHARMONIC VIBRATIONAL FREQUENCY; ANHARMONIC VIBRATIONAL PROPERTIES; ANHARMONICITIES; DFT CALCULATION; EXPERIMENTAL DATUM; GASPHASE; MICROENVIRONMENTS; N-METHYLACETAMIDE; NORMAL-MODE FREQUENCIES; POLAR SOLVENTS; POTENTIAL ENERGY DISTRIBUTION; QUARTIC FORCE CONSTANTS; RED SHIFT; SECOND ORDERS; SOLVATION EFFECT; SOLVENT EFFECTS; SOLVENT POLARITY; VIBRATIONAL MODES; VIBRATIONAL PERTURBATION THEORY;

DENSITY FUNCTIONAL THEORY; GASES; QUANTUM THEORY; SOLVENTS;

AMIDES;

EID: 84873949960     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2013.01.005     Document Type: Article

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