Reparameterization of Semiempirical Techniques to Remove Anomalous Energy Minima
Author:
Affiliation:
1. a Department of Chemistry , Mississippi State University , Mississippi State , Mississippi , 39762
Publisher
Informa UK Limited
Subject
Spectroscopy,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Link
https://www.tandfonline.com/doi/pdf/10.1080/00387017308065458
Reference2 articles.
1. Anomalous Energy Minima by Semiempirical Calculations
2. Approximate Self‐Consistent Molecular‐Orbital Theory. V. Intermediate Neglect of Differential Overlap
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1. Removal of Anomalies in CO2Calculations by Using Symmetry Functions in Fixed Configurations;Spectroscopy Letters;1983-04
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3. Calculations of absolute values of equilibrium and rate constants. 9. MINDO/2 study of equilibrium carbon vapor;The Journal of Physical Chemistry;1977-12
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