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2320 积分 2023-12-11 加入
Janus-structured MXene composite films with tannic acid-enhanced strength and environmentally stable electromagnetic interference shielding
1个月前
已完结
VMD: Visual molecular dynamics
1个月前
已完结
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
1个月前
已完结
Multiwfn: a multifunctional wavefunction analyzer
1个月前
已完结
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
1个月前
已完结
Effect of the damping function in dispersion corrected density functional theory
1个月前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
1个月前
已完结
The SHARK integral generation and digestion system
1个月前
已完结
The SHARK integral generation and digestion system
1个月前
已关闭
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
1个月前
已完结
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