Can Path Integral Molecular Dynamics Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation
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| Description | scientific article published on 16 July 2018 |
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author: Agnieszka Dybala-Defratyka Michał Rostkowski Faina Gelman |
| Publication date | July 16, 2018 |
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