Unveiling anharmonic coupling by means of excited state ab initio dynamics: application to diarylethene photoreactivity - Chiariello, Maria Gabriella; Raucci, Umberto; Coppola, Federico; Rega, Nadia (Physical chemistry chemical physics : PCCP, 2019)
Keywords: Adiabatic flow; Anharmonicity; Coupling (molecular); Energy gap; Molecular dynamics; Multiresolution analysis; Oscillations; Parameters; Potential energy; Quantitative analysis; Ring opening; Wavelet analysis; Wavelet transforms