Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations

Nguyen-Thi Van-Oanh, Cyril Falvo, Florent Calvo, David Lauvergnat, Marie Basire, Marie-Pierre Gaigeot, Pascal Parneix
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp23101h