Domain Based Pair Natural Orbital Coupled Cluster Studies on Linear and Folded Alkane Chains
Author:
Affiliation:
1. Max Planck Institute for Chemical Energy Conversion, Stiftstr. 32-34, 45470 Mülheim an der Ruhr, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00265
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5. Systematic Errors in Computed Alkane Energies Using B3LYP and Other Popular DFT Functionals
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