Harmonic vibrational frequencies of HN3 and CH3N3 molecules and their several isotopomers are calculated using HF, MP2 and five popular density functional theo
Five new chloranilato-bridged binuclear chromium (III) complexes have been synthesized and identified as [Cr2(CA)L4]-(ClO4)4[L denotes 5-methyl-1,10-phenanthro
On the basis of ZINDO methods, according to the sum-overstates (SOS) expression, the program for the calculation of the second-order nonlinear optical suscepti