An MNDO study of the structures, vibrational frequencies, and ionization energies of the first five poly-ynes
- 1 September 1977
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 50 (2) , 262-265
- https://doi.org/10.1016/0009-2614(77)80177-2
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Ground states of molecules. 37. MINDO/3 calculations of molecular vibration frequenciesJournal of the American Chemical Society, 1977
- Emission spectra of the radical cations of diacetylene (Ã2Πu→X̃2Πg), triacetylene (Ã2Πg→X̃2Πu), and tetraacetylene (Ã2Πu→X̃2Πg,O00), and the lifetimes of some vibronic levels of the à statesChemical Physics, 1976
- The ∏-states of tetraacetylene radical cationChemical Physics Letters, 1976
- Ground states of molecules. XXVI. MINDO/3 calculations for hydrocarbonsJournal of the American Chemical Society, 1975
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- Vibrational spectra and force field of triacetyleneSpectrochimica Acta Part A: Molecular Spectroscopy, 1974
- Die Photoelektronen‐Spektren methyl‐substituierter AcetyleneHelvetica Chimica Acta, 1973
- Ground states of conjugated molecules. IX. Hydrocarbon radicals and radical ionsJournal of the American Chemical Society, 1968
- The absorption spectrum of diacetylene in the vacuum ultravioletProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1967
- AN EMISSION SPECTRUM OF THE DIACETYLENE ION: A STUDY OF SCHÜLER'S "T" SPECTRUM UNDER HIGH RESOLUTIONCanadian Journal of Physics, 1956