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270 积分 2024-01-06 加入
JEDI: A versatile code for strain analysis of molecular and periodic systems under deformation
2小时前
求助中
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2天前
已完结
Design and photophysical characterization of quasi-intrinsic fluorescent probes utilized in DNA sequencing
6个月前
已关闭
The eXact integral simplified time-dependent density functional theory (XsTD-DFT)
1年前
已完结
Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals
1年前
已完结
The Value of Incumbency When Platforms Face Heterogeneous Customers
1年前
已关闭
ωB97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double-ζ basis set
1年前
已关闭
One-Pot Synthesis of Carbon Dots for Detection of Dichromate and 4-Nitrophenol
1年前
已关闭
Computational studies of polycyclic aromatic systems
1年前
已完结
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