SVECV ‐f12: Benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers
Author:
Affiliation:
1. Computational Chemistry and Biology Group, CCBG, DETEMA, Facultad de Química Universidad de lq Republica Montevideo Uruguay
Funder
Alexander von Humboldt-Stiftung
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26745
Reference55 articles.
1. Theoretical Chemical Kinetics in Tropospheric Chemistry: Methodologies and Applications
2. Chapter 3 Computational Thermochemistry: A Brief Overview of Quantum Mechanical Approaches
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5. Highly Accurate CCSDT(Q)/CBS Reaction Barrier Heights for a Diverse Set of Transition Structures: Basis Set Convergence and Cost-Effective Approaches for Estimating Post-CCSD(T) Contributions
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