An ab initio molecular orbital study of the CH2O+− isomers: The stability of the hydroxymethylene radical cation
- 1 February 1980
- journal article
- Published by Elsevier in International Journal of Mass Spectrometry and Ion Physics
- Vol. 33 (1) , 87-93
- https://doi.org/10.1016/0020-7381(80)80038-6
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- The photodissociation of formaldehyde: Potential energy surface featuresThe Journal of Chemical Physics, 1979
- Ab initio calculation on the photochemistry of formaldehyde. The search for a hydroxycarbene intermediateJournal of the American Chemical Society, 1978
- Electron correlation theories and their application to the study of simple reaction potential surfacesInternational Journal of Quantum Chemistry, 1978
- A theoretical study concerning mechanisms of the molecular rearrangement of carbonyl compounds to oxacarbenes in the lowest triplet stateJournal of the American Chemical Society, 1978
- Metal-carbene complexes and the possible role of hydroxycarbene in formaldehyde laser photochemistryJournal of the American Chemical Society, 1978
- Detection of the radical H2CȮ+by electron spin resonanceJournal of the Chemical Society, Chemical Communications, 1975
- The calculation of spin-restricted single-determinant wavefunctionsMolecular Physics, 1974
- Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ionsJournal of the American Chemical Society, 1974
- Molecular Orbital Structures for Small Organic Molecules and CationsPublished by Wiley ,1974
- Molecular orbital theory of the electronic structure of organic compounds. XIV. Equilibrium geometries and energies of low-lying excited statesJournal of the American Chemical Society, 1972