Hydrogen-bonded acetic acid dimers: Anharmonic coupling and linear infrared spectra studied with density-functional theory

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Dreyer, Jens ^a  

^a MAX BORN INSTITUT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC COUPLING; BORN-OPPENHEIMER APPROXIMATIONS; DAVYDOV COUPLING; FERMI RESONANCES;

ACETIC ACID; CARBOXYLIC ACIDS; CONFORMATIONS; FERMI LEVEL; FINITE DIFFERENCE METHOD; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HARMONIC ANALYSIS; HYDROGEN BONDS; LINEARIZATION; NATURAL FREQUENCIES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

DIMERS;

EID: 18844393703     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1891727     Document Type: Article

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