Computing vibrational spectra from ab initio molecular dynamics
Thomas, Martin ; Brehm, Martin ; Fligg, Reinhold ; Vöhringer, Peter ; Kirchner, Barbara
Physical chemistry chemical physics : PCCP, 2013-05, Vol.15 (18), p.668-6622 [Periódico revisado por pares]Cambridge: Royal Society of Chemistry
Texto completo disponível