Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics 论文

2017Proceedings of the National Academy of Sciences引用 218
DOIPDF
Machine Learning in Materials ScienceComputational Drug Discovery MethodsCrystallography and molecular interactions
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceCrystallography and molecular interactions
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics · 作者

Y

Ying Wang

D

Donald G. Truhlar

H

Haoyu S. Yu

X

Xinsheng Jin