A comprehensive picture of the photoinduced non-adiabatic decay dynamics of trans-N-1-methyl-2-(tolylazo) imidazole (trans-MTAI) of S1 and S2 states in gas phase have been revealed at ab initio CASSCF
Resonance-enhanced multi-photon ionization (REMPI) and Mass-analyzed threshold ionization (MATI) spectra of 3-Chloro-N-methylaniline (3ClNMA) are recorded in detail.
The photodissociation dynamics of CF3I has attracted particular interest for decades,as a quasi-linear polyatomic molecule with many vibrational modes.
We developed nonadiabatic trajectory surface hopping algorithm without calculating nonadiabatic coupling vector for nonadiabatic processes involving in singlet excited states[1],and plus calculating s
Tryptophan radicals or radical cations,currently believed to participate in electron transfer in cytochrome c peroxidase,DNA photolyase,galactose oxidase,and perhaps ribonucleotide reductase,are becom
A precise understanding of the accuracy of reaction rate constants,whether determined experimentally or theoretically,is of considerable importance to kinetic modelers.