Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation
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| Description | scientific article published on 18 October 2018 |
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author: Yihan Shao Xiangyu Jia Ye Mei Xiaoliang Pan Pengfei Li |
| Publication date | October 26, 2018 |
| Language | English |
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