The singlet-triplet splitting energy gap △ES-T = ES- ET is calculated for the ortho-, meta-, and para-xylylenes and their heteroatomic analogous by means of AM
Aggregation behavior of two amphiphilic D-π-A molecules bearing barbituric acid as both recogniton group and electron-drawing substituent , 5-(4-dodecyl oxyben
It is widely believed that dimerization is a requirement for the yeast transcriptional activator GCN4 to recognize its specific DNA target sites. We used the ba
The unimolecular dissociation of HCO ground state was investigated with the time-dependent full-quantum symplectic propagation based on the newest potential ene
General expressions used for extracting the orientation and alignment parameters of a symmetric top molecule from laser-induced fluorescence (LIF) intensity are