Search Results - Cambridge Quantum Computing

Quantum mechanics simulation of Cadmium(II) tripeptide complexes by Abdalla, Shaho Mohammed

“…For this purpose, data on cadmium(II) benzenthiolato was extracted from Cambridge Structural Database (CSD) and compared to the computed data on the same molecule achieved theoretically using Becke Three Parameter Hybrid Functional in combination with Double zeta split-valence plus polarization basis set (B3LYP/DGDZVP) and M06/Def2TZVP. …”
Get full text
Get full text