The reaction of lithium with hydrogen. a model ab initio study
- 30 September 1986
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 129 (5) , 475-480
- https://doi.org/10.1016/0009-2614(86)80231-7
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Hartree–Fock–Slater-LCAO implementation of the moderately large-embedded-cluster approach to chemisorption. Calculations for hydrogen on lithium (100)The Journal of Chemical Physics, 1986
- A detailed analysis of the Raman enhancement mechanisms associated with the interaction of a Raman scatterer with a resonant metal cluster: Results for Lin–H2The Journal of Chemical Physics, 1984
- An effective molecular orbital basis selection scheme to calculate resonant frequency-dependent polarizabilities and polarizability derivatives by time-dependent Hartee—Fock theoryChemical Physics Letters, 1982
- Time-dependent Hartree—Fock calculations of surface-enhanced Raman intensities. H2 adsorbed on a model Li clusterChemical Physics Letters, 1982
- Study of the electronic structures of lithium hydrides, LinHm (m .ltoreq. n .ltoreq. 4)The Journal of Physical Chemistry, 1981
- Theoretical study of the structure and stability of oligomers of lithium hydrideInorganic Chemistry, 1981
- Molecular orbital theory of the electronic structure of molecules. 34. Structures and energies of small compounds containing lithium or beryllium. Ionic, multicenter, and coordinate bondingJournal of the American Chemical Society, 1977
- Theoretical investigation of structure and stability of oligomers of LiH, NaH, LiF, and NaFTheoretical Chemistry Accounts, 1977
- The influence of electron correlation on reaction energies. The dimerization energies of BH3 and LiHTheoretical Chemistry Accounts, 1974
- Theoretical prediction of the existence and properties of the lithium hydride dimerJournal of the American Chemical Society, 1972