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About Semiempirical Quamtum Chemical Methods - Thiel2013
This document provides an overview of semiempirical quantum-chemical methods. It begins with a brief history, noting early π-electron methods and all-valence electron methods. Parameterization strategies are discussed, including calibrating against ab initio Hartree-Fock results or experimental data. Well-known methods described include MNDO, AM1, PM3, and more recent orthogonalization-corrected methods like OM1-OM3. The document surveys applications and concludes by mentioning tight-binding versions of DFT methods.
Detailed Information
| Author: | ['baquetasdeoro'] |
|---|---|
| Publication Year: | 2016 |
| Pages: | 13 |
| Language: | English |
| Format: | |
| Price: | FREE |
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