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Top network posts
- 15 How can I visualize the trajectory of a VASP simulation?
- 14 Is there a free package with robust CASSCF functionality?
- 13 Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
- 11 Using 是不是 vs. 吗
- 10 How can I simulate the work function given by Ultraviolet Photoelectron Spectrum (UPS)?
- 8 Alternatives to VEDA 4 vibrational energy distribution analysis software?
- 8 What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar?
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