Lv1
40 积分 2023-12-12 加入
Pitting corrosion of aluminum,
14分钟前
待确认
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
3个月前
已完结
New Insights into Hydrosilylation of Unsaturated Carbon–Heteroatom (C═O, C═N) Bonds by Rhenium(V)–Dioxo Complexes
5个月前
已完结
Expanding the role of oxo-molybdenum(vi) catalysts: a DFT interpretation of X–H activation leading to reduction or oxidation
5个月前
已完结
Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm
5个月前
已完结
Effect of the damping function in dispersion corrected density functional theory
5个月前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
5个月前
已完结
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
5个月前
已完结
The ORCA quantum chemistry program package
5个月前
已完结
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