Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules (Q5484146)
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scientific article; zbMATH DE number 5049195
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules |
scientific article; zbMATH DE number 5049195 |
Statements
Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules (English)
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24 August 2006
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quantum chemistry
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MD simulation
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NDDO
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ab initio tight-binding
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DFT
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