An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis (Q29307367)
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scientific article (publication date: 15 April 2007)
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis |
scientific article (publication date: 15 April 2007) |
Statements
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis (English)
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Martin Head-Gordon
1 reference
Robert A. Distasio
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Ryan P. Steele
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15 April 2007
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28
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5
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839-856
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Identifiers
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