A theoretical study of the thermal decomposition kinetics of ethane halides(C2H6-nXn(n = 1~3);X = F,Cl,Br) has been carried out at the B3LYP/6-31++G** and B3PW91
A dimeric coordination complex Cd2(ncpo)2(phen)2(H2O)2 was constructed by a flexible dicarboxylic acid, 2-nitro-4-carboxylphenoxyacetic acid. Its crystal struct
A new 1D coordination polymer [Co(bpp)3Cl2(H2O)2]n 1 (bpp = 1,3-bis(4-pyridyl)-propane) was synthesized and characterized by elemental analysis,IR spectrum and
The molecular structures of 135 poly-bromine carbazole (PBCZs) compounds were fully optimized at the B3LYP/6-31G* level, and their thermodynamic properties at 9
The crystal structure of the new title compound 2-ethoxy-3-n-butyl- benzofuro[2,3-d]pyrimidin-4(3H)-one (C16H18N2O3, Mr = 286.32) has been prepared and determin
Reaction of [(μ-SCH2)2NPh]Fe2(CO)6 with Ph2PCH2PPh2 in the presence of Me3NO·2H2O gave the title complex [(μ-SCH2)2NPh]Fe2(CO)5(Ph2PCH2PPh2)(1)in 78% yie
The new title compound (2E,6E)-2,6-bis(2,3-dimethoxybenzylidene)cyclohexanone (C 24 H 26 O 5,M r=394.45) has been synthesized,and its crystal structure was stud