W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost-Reference-Cited by-同舟云学术

W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost

Published:2012-09-19 Issue:11 Volume:8 Page:4259-4269
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chan Bun¹,Radom Leo¹

Affiliation:

1. School of Chemistry and ARC Centre of Excellence for Free Radical Chemistry and Biotechnology, University of Sydney, Sydney, NSW 2006, Australia

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300632p

Reference58 articles.

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3. aPetersson, G. A.InQuantum-Mechanical Prediction of Thermochemical Data;Cioslowski, J., Ed.Kluwer Academic Publishers:Dordrecht, The Netherlands, 2001; pp99–130.

4. Chapter 3 Computational Thermochemistry: A Brief Overview of Quantum Mechanical Approaches

5. The Correlation Consistent Composite Approach (ccCA): Efficient and Pan-Periodic Kinetics and Thermodynamics

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