Calculation of Free Energy Profiles for Elementary Bimolecular Reactions by ab Initio Molecular Dynamics: Sampling Methods and Thermostat Considerations
- 26 February 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 108 (12) , 2167-2180
- https://doi.org/10.1021/jp036007v
Abstract
No abstract availableKeywords
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