Published August 7, 2023
| Version v1
Dataset
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Input files for SAPT0 calculation in PSI4
Authors/Creators
- 1. National Institute of Technology Calicut
- 2. University of Calicut
Description
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.
Files
Files
(80.0 kB)
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md5:037f09cabce8cb8128a2f3ab51948d9a
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md5:f122827242907fce5e4cc9fd109c6732
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