Four novel transitional metal complexes with 3-(4-pyridly)-4-phenyl-5-sulfhydryl-1,2,4-triazole(HL1)and 3-(3-pyridly)-4-phenyl-5-sulfhydryl-1,2,4-triazole(HL2)w
In the present study,geometrical optimization and electrostatic potential calcula-tions have been performed for 22 nitroaromatic compounds at the HF/6-31G level
Five new transitional metal complexes with 4,4’-bis(1,2,4-triazol-1-ylmethyl)- biphenyl (L1), 1,4-bis(1,2,4-triazol-1-ylmethyl)naphthalene (L2) and 1-(1H-1,2,4
After the geometry optimizations at the B3LYP/6-31+G(d,p) level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by