Assessment of Coupled Cluster Theory and more Approximate Methods for Hydrogen Bonded Systems
Author:
Affiliation:
1. Department of Chemistry, University of Potsdam, Karl-Liebknecht-Straße 24-25, D-14476 Potsdam, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct400558w
Reference61 articles.
1. HEAT: High accuracy extrapolatedab initiothermochemistry
2. High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification
3. High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview
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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