PASTA: Python algorithms for searching transition states (Q6155429)
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scientific article; zbMATH DE number 7694827
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
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| English | PASTA: Python algorithms for searching transition states |
scientific article; zbMATH DE number 7694827 |
Statements
PASTA: Python algorithms for searching transition states (English)
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12 June 2023
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NEB
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CI-NEB
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AutoNEB
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transition state
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energy barrier
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DFT
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0.7939053
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