Success of the NDDO method to predict conformations in conjugated systems
- 1 February 1976
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 37 (3) , 608-610
- https://doi.org/10.1016/0009-2614(76)85049-x
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Failure of the CNDO/2 method for predicting the conformations in some systems with “localized” bondsChemical Physics Letters, 1975
- Cndo/2 conformational calculation for conjugated and non-conjugated molecular systemsJournal of Molecular Structure, 1975
- NDDO‐Berechnungen zur Bestimmung der Molekülstruktur konjugierter VerbindungenZeitschrift für Chemie, 1975
- Quantenchemische Berechnungen zur Molekülstruktur konjugierter Verbindungen. III.. Vergleichende π‐ und Allvalenzelektronen‐MO‐Berechnungen an Butadien‐(1,3), Glyoxal und BiphenylJournal für Praktische Chemie, 1974
- Success of the PCILO method and failure of the CNDO/2 method for predicting conformations in some conjugated systemsChemical Physics Letters, 1973
- Etude conformationnelle dans l'approximation CNDO/BW: barrière de rotation interne de petites molécules organiquesHelvetica Chimica Acta, 1973
- An SCF–MO–CNDO study of equilibrium geometries, force constants, and bonding energies: CNDO/BW. Part I. ParameterizationJ. Chem. Soc., Dalton Trans., 1972
- Failure of the CNDO/2 method to predict the barriers and conformations in some conjugated systemsChemical Physics Letters, 1971
- A reparametrization of the CNDO method I. HydrocarbonsTheoretical Chemistry Accounts, 1969
- Localized bond orbitals and the correlation problemTheoretical Chemistry Accounts, 1969