Density Functional Theory Is More Accurate Than Coupled-Cluster Theory in the Study of the Thermochemistry of Species Containing the F−O Bond
Author:
Affiliation:
1. MTC-Lab, Facultad de Química, Universidad de la República, CC 1157, Montevideo 11800, Uruguay
2. National Cancer Institute, Frederick Biomedical Supercomputer Center, P.O. Box B, Frederick, Maryland 21702-1201
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp982282j
Reference32 articles.
1. Fluorine peroxide (FOOF): A continuing problem for normally reliable theoretical methods
2. An improved ab initio structure for fluorine peroxide (FOOF)
3. Highly correlated systems. Structure and harmonic force field of F2O2
4. Nitrosyl hypofluorite: another difficult case for conventional ab initio methods
5. Nitrosyl hypofluorite: local density functional study of a problem case for theoretical methods
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