Open AccessACCURATE ANHARMONIC IR SPECTRA FROM INTEGRATED CC/DFT APPROACH
Author(s) -
Małgorzata Biczysko,
Cristina Puzzarini,
Ivan Carnimeo,
Julien Bloino,
Vincenzo Barone
Publication year - 2014
Language(s) - Lithuanian
Resource type - Conference proceedings
DOI - 10.15278/isms.2014.wi09
Subject(s) - anharmonicity , spectral line , computer science , materials science , physics , quantum mechanics