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About Gaussian PDF
This document provides an overview of molecular quantum chemistry methods and calculations using the Gaussian software. It discusses computational methods like density functional theory (DFT) and post-Hartree-Fock methods, basis sets, properties calculations, and analyzing results. It also covers topics like geometry optimization, transition state searches, solvation models, and running calculations on HPC clusters using SLURM batch jobs.
Detailed Information
| Author: | ['Kalpana Saravana Kumar'] |
|---|---|
| Publication Year: | 2019 |
| Pages: | 28 |
| Language: | English |
| Format: | |
| Price: | FREE |
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