Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules
Author:
Affiliation:
1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp064544k
Reference49 articles.
1. Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
2. Effect of electronic state of carbon atoms on their reactions with cyclopentadiene in inert gas moderated systems
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