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938 积分 2022-12-05 加入
VMD: Visual molecular dynamics
10天前
已完结
Multiwfn: a multifunctional wavefunction analyzer
10天前
已完结
Meaning and Functional Form of the Electron Localization Function
10天前
已完结
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
10天前
已完结
Recent Advances in Density Functional Methods
10天前
已完结
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
10天前
已完结
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
10天前
已完结
Effect of the damping function in dispersion corrected density functional theory
10天前
已完结
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
10天前
已完结
Ab initiomolecular dynamics for open-shell transition metals
10天前
已完结
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