Critical examination of approximateLCAOMO methods. I. Reasons for the failure of theCNDO andINDO methods in theoretical conformational analysis of conjugated compounds-Reference-Cited by-同舟云学术

Critical examination of approximateLCAOMO methods. I. Reasons for the failure of theCNDO andINDO methods in theoretical conformational analysis of conjugated compounds

Published:1982-05 Issue:5 Volume:21 Page:833-843
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Birner P.,Hofmann H.-J.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference41 articles.

1. and Approximate MO Theory (McGraw-Hill, New York, 1970).

2. Failure of the CNDO/2 method for predicting the conformations in some systems with “localized” bonds

3. Failure of the CNDO/2 method to predict the barriers and conformations in some conjugated systems

4. Success of the PCILO method and failure of the CNDO/2 method for predicting conformations in some conjugated systems

5. Quantenchemische Berechnungen zur Molekülstruktur konjugierter Verbindungen. III.. Vergleichende π- und Allvalenzelektronen-MO-Berechnungen an Butadien-(1,3), Glyoxal und Biphenyl

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