Input files for SAPT0 calculation in PSI4
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下载链接:
https://zenodo.org/record/8220791
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资源简介:
Input files for the Lower order symmetry adapted-perturbation theory calculation (SAPT0) calculation on LAB-TEA - Amino acid systems. The calculation is performed in the quantum chemistry package PSI4.
创建时间:
2023-08-08



