Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: The case of pyrrole and furan

Chemical Physics Letters

Volumn 383, Issue 5-6, 2004, Pages 528-532

  Barone, Vincenzo ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

FURAN; PYRROLE;

ARTICLE; CALCULATION; DENSITY; FORCE; MOLECULAR SIZE; MOLECULE; NORMAL DISTRIBUTION; QUANTUM MECHANICS; SCALE UP; SPECTROSCOPY; VIBRATION;

EID: 0347753690     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.066     Document Type: Article

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