G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2)
Author:
Affiliation:
1. School of Chemistry and ARC Center of Excellence for Free Radical Chemistry and Biotechnology, University of Sydney, Sydney, NSW 2006, Australia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100542x
Reference55 articles.
1. For general overviews, see:
2. Quantitative quantum chemistry
3. Chapter 3 Computational Thermochemistry: A Brief Overview of Quantum Mechanical Approaches
4. Gaussian‐1 theory: A general procedure for prediction of molecular energies
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