Complex Reaction Network Thermodynamic and Kinetic Autoconstruction Based on Ab Initio Statistical Mechanics: A Case Study of O2 Activation on Ag4 Clusters
Author:
Affiliation:
1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c03454
Reference58 articles.
1. Fundamental Concepts in Heterogeneous Catalysis
2. Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis
3. Towards the computational design of solid catalysts
4. Density functional theory in surface chemistry and catalysis
5. Kinetic modelling of heterogeneous catalytic systems
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