Contracted CI calculations of models for catalytic reactions involving transition metals
- 1 March 1983
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 23 (3) , 855-863
- https://doi.org/10.1002/qua.560230309
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Reductive elimination of HH, HCH3, and CH3CH3 from bis(phosphine)platinum(II), -palladium(II), and -nickel(II) complexes: a theoretical study using the SCF-X.alpha.-SW methodInorganic Chemistry, 1982
- A systematic preparation of new contracted Gaussian‐type orbital sets. VIII. MINI‐1 and MIDI‐1 sets for Ga through CdJournal of Computational Chemistry, 1982
- On incorporation of atomic correlation in transition-metal molecular calculations: NiHChemical Physics Letters, 1982
- Alkane dehydrogenation by iridium complexesJournal of the American Chemical Society, 1982
- Carbon-hydrogen activation in completely saturated hydrocarbons: direct observation of M + R-H .fwdarw. M(R)(H)Journal of the American Chemical Society, 1982
- Transition state of oxidative addition reaction: Pt(PH3)2 + H2 .fwdarw. Pt(H)2(PH3)2Journal of the American Chemical Society, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through neJournal of Computational Chemistry, 1980
- Theoretical Study of a Homogeneous Catalytic Reaction: The Chlorotris-(Triphenylphosphine)Rhodium(I)-Catalyzed Hydrogenation of OlefinsPublished by Springer Nature ,1980
- Electronic properties of and reductive elimination from dimethylnickel. An ab initio MO-SCF-CI studyJournal of the American Chemical Society, 1979
- Configuration Interaction Description of Electron CorrelationPublished by Springer Nature ,1974