A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution (Q1967219)
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scientific article; zbMATH DE number 1414001
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution |
scientific article; zbMATH DE number 1414001 |
Statements
A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution (English)
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20 March 2000
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quantum dynamics
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proton transfer
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water
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SPC/E water
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molecular dynamics
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quantum-classical simulation
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enzyme reactions
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biochemical processes
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