Ab Initio Molecular Orbital Study of Electronic and Geometrical Structures of MCH2+ Complex and its Reactivity with H2, Where M = Co, Rh, and Ir
- 1 January 1993
- journal article
- research article
- Published by Wiley in Israel Journal of Chemistry
- Vol. 33 (3) , 307-316
- https://doi.org/10.1002/ijch.199300037
Abstract
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This publication has 43 references indexed in Scilit:
- Theoretical study of the bonding of the first- and second-row transition-metal positive ions to methyleneThe Journal of Physical Chemistry, 1992
- Theoretical studies of the first- and second-row transition-metal methyls and their positive ionsThe Journal of Chemical Physics, 1989
- Electronic states and potential energy surfaces of rhodium dihydrideThe Journal of Physical Chemistry, 1988
- Multicollision chemistry of gas-phase transition-metal ions with small alkanes: rate constants and product branching at 0.75 torr of heliumThe Journal of Physical Chemistry, 1988
- The potential surface of X̃ 3B1 methylene (CH2) and the singlet–triplet splittingThe Journal of Chemical Physics, 1986
- Theoretical studies of transition-metal hydrides. 1. Bond energies for MH+ with M = Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and ZnJournal of the American Chemical Society, 1986
- A second order multiconfiguration SCF procedure with optimum convergenceThe Journal of Chemical Physics, 1985
- Potential energy surfaces of MH2 (M=Co, Fe, and Cu)The Journal of Chemical Physics, 1984
- The chromium methylidene cation: CrCH2+The Journal of Physical Chemistry, 1984
- Ion beam studies of the reactions of atomic cobalt ions with alkanes: determination of metal-hydrogen and metal-carbon bond energies and an examination of the mechanism by which transition metals cleave carbon-carbon bondsJournal of the American Chemical Society, 1981