By means of ab initio HF and DFT B3LYP methods, the structure of Gaq3 (q = 8-hydroxyquinoline) was optimized. The frontier molecular orbital characteristics and
Various configuration-based multi-reference second order perturbation approaches were investigated and a new scheme averting intruder states was suggested. The
Three new kinds of self-assembled films were first fabricated through a new strategy. These films have Sn4+, Zr4+ and Ce4+ as bridging central ions, 3, 4, 9, 10
A new cyclic peptide, prepatellamide A (1), along with three known cyclic peptides (2)-(4), was isolated from the ascidian Lissoclinum patella. The structure of
AlN and Al2N2 have been observed in the record of time-of-flight mass-spectra as positive ions. Associating with density functional theory(DFT) B3LYP method wit