Density functional theory was used at the B3LYP/6-311++G(d,p) level of theory to study the hydrates of 2NH3:H2SO4:nH2O for n = 0~4. Neutrals of the most stable c
Structural and thermodynamic parameters of 56 oxygen-containing and 56 sulfur- containing organic compounds were computed at the B3LPY/6-311G** level using dens
A new two-dimensional (2D) manganese(II) coordination polymer {[Mn(bidc)(H2O)2]· 2H2O}n (H2bidc = benzimidazole-5,6-dicarboxylic acid) was synthesized, and