Prediction of Alkanolamine p K a Values by Combined Molecular Dynamics Free Energy Simulations and ab Initio Calculations
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| Published in | Journal of chemical and engineering data Vol. 65; no. 3; pp. 1358 - 1368 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
12.03.2020
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| Online Access | Get full text |
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| ISSN: | 0021-9568 1520-5134 |
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| DOI: | 10.1021/acs.jced.9b00927 |