\textit{pilgrim}: A thermal rate constant calculator and a chemical kinetics simulator (Q6040121)
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scientific article; zbMATH DE number 7688520
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | \textit{pilgrim}: A thermal rate constant calculator and a chemical kinetics simulator |
scientific article; zbMATH DE number 7688520 |
Statements
\textit{pilgrim}: A thermal rate constant calculator and a chemical kinetics simulator (English)
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24 May 2023
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variational transition state theory
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multipath variational transition state theory
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minimum energy path
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multidimensional tunneling
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multiple conformations
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dual-level direct-dynamics calculations
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kinetic Monte Carlo
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reaction mechanisms
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