Estimates for systematic empirical corrections of consistent 4–21G ab initio geometries and their correlations to total energy group increments
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference46 articles.
1. Normal coordinate ab initio force relaxation
2. J. N. Scarsdale, C. Van Alsenoy and L. Schäfer, J. Mol. Struct., in press.
3. Molecular structures of gas‐phase polyatomic molecules determined by spectroscopic methods
4. Ab initio studies of structural features not easily amenable to experiment. 12. The molecular structure of bicyclo(2.1.0)pentane and the usefulness of ab initio geometries in interpreting microwave rs‐structure model uncertainties
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