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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple

Wojciech Wojtas-Niziurski1, Yilin Meng, Benoit Roux

  • 1Swiss Institute of Bioinformatics and Biozentrum, University of Basel, Klingelbergstrasse 50/70, CH-4056 Basel, Switzerland.

Journal of Chemical Theory and Computation
|July 2, 2013
PubMed

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