Calculations of geometries of organic molecules using the CNDO/2 method—I
- 1 January 1971
- journal article
- Published by Elsevier in Tetrahedron
- Vol. 27 (4), 689-700
- https://doi.org/10.1016/s0040-4020(01)92465-2
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- Proton NMR Spectra of Cyclopentadiene, 1,3-Cyclohexadiene, 1,3-Cyclooctadiene, and 1,2-DihydronaphthaleneThe Journal of Chemical Physics, 1970
- Effect of steric compression on proton-proton, spin-spin coupling constants. Further evidence and mechanistic considerationsJournal of the American Chemical Society, 1970
- Analysis of the proton nuclear magnetic resonance spectra of some strained benzocycloalkenes and benzocycloalkenediones. Effect of strain on proton--proton, spin--spin coupling constantsJournal of the American Chemical Society, 1970
- Critical evaluation of the dependence of 3JHH couplings on bond order and bond length in conjugated carbocyclic molecules. Evidence for a steric effect on 3JHHJournal of the American Chemical Society, 1969
- All-valence-electron semiempirical self-consistent field calculationsAccounts of Chemical Research, 1969
- A reparametrization of the CNDO method I. HydrocarbonsTheoretical Chemistry Accounts, 1969
- Application of the Pople-Snatry-Segal complete neglect of differential overlap method to some hydrocarbons and their cationsJournal of the American Chemical Society, 1968
- Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 SystemsThe Journal of Chemical Physics, 1966
- Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential OverlapThe Journal of Chemical Physics, 1965
- Approximate Self-Consistent Molecular Orbital Theory. I. Invariant ProceduresThe Journal of Chemical Physics, 1965