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About CC Key Terms
1. Computational chemistry uses theoretical chemistry methods incorporated into computer programs to calculate molecular structures and properties without direct experimentation. 2. Calculations can be done using different models, from ab initio/DFT methods using approximations of Schrodinger's equation to semi-empirical and molecular mechanics/empirical methods using further approximations or no Schrodinger equation. 3. Computational chemistry is useful for investigating systems too difficult or expensive to study experimentally, and allows chemists to predict experimental outcomes.
Detailed Information
| Author: | ['zaroon sajid'] |
|---|---|
| Publication Year: | 2021 |
| Pages: | 3 |
| Language: | English |
| Format: | |
| Price: | FREE |
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