Assessment of Density Functional Theory for Thermochemical Approaches Based on Bond Separation Reactions
Author:
Affiliation:
1. Laboratory of Physical Chemistry, ETH Zürich, CH 8093 Zürich, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp310735h
Reference120 articles.
1. Quantitative quantum chemistry
2. Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
3. Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory
4. W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range
5. W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions
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