Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Efficient Dynamic Computational Strategy for Heterogeneous Catalysis Based on Neural Network Potential Energy Surface: A Case Study of Temperature-Dependent Thermodynamics and Kinetics for the Chemisorbed on-surface CO
, Authors:
Jun Chen, Tan Jin, Tonghao Shen, Mingjun Yang, Zhe-Ning Chen
Version 1 posted 01 October 2021
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