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About Intro CompChem
This document provides an overview and introduction to various computational chemistry programs and methods. It discusses ab initio methods, density functional theory, molecular mechanics methods, and some common computational chemistry software programs. Specific methods covered include Hartree-Fock, post-Hartree-Fock, density functional theory using different functionals, semi-empirical methods like AM1 and PM3, and molecular mechanics force fields like Amber and CHARMM. Applications to modeling structures, properties, reactions, and dynamics of molecules and condensed phases are also mentioned.
Detailed Information
| Author: | ['swapnil kale'] |
|---|---|
| Publication Year: | 2013 |
| Pages: | 79 |
| Language: | English |
| Format: | |
| Price: | FREE |
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