Prediction of Rate Constants for Catalytic Reactions with Chemical Accuracy
Author:
Affiliation:
1. Dept. of ChemistryUniversity College London 20 Gordon St London WC1 HOAJ UK
2. School of ChemistryCardiff University Cardiff CF10 3AT UK
Publisher
Wiley
Subject
General Chemistry,Catalysis
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.201603930
Reference6 articles.
1. Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy
2. Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy
3. Advances in theory and their application within the field of zeolite chemistry
4. Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment
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