Assessment of the suitability of using the composite G2, G3, and CBS-RAD methods for predicting activation energies
Author:
Affiliation:
1. a Department of Chemical and Environmental Engineering , University of Arizona , Tucson, Arizona, USA
Publisher
Informa UK Limited
Subject
General Chemical Engineering,General Chemistry
Link
https://www.tandfonline.com/doi/pdf/10.1080/00986440302158
Reference58 articles.
1. Gaussian-3 theory using density functional geometries and zero-point energies
2. Evaluated Kinetic Data for Combustion Modeling. Supplement I
3. A comparison of the accuracy of different functionals
4. A modification of the Gaussian‐2 approach using density functional theory
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