The mechanism of carbonyl reduction by LiBH4: An ab initio investigation with inclusion of solvent effects
- 1 June 1983
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 94 (1-2) , 11-23
- https://doi.org/10.1016/0166-1280(83)80152-3
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- The mechanism of carbonyl reduction by LiBH4: An ab initio investigationJournal of Molecular Structure: THEOCHEM, 1982
- Approximate evaluations of the electrostatic free energy and internal energy changes in solution processesChemical Physics, 1982
- The mechanism of addition to a CN triple bond. An ab initio study of the first stages of the Stephen, Gatterman and Houben-Hoesch reactionsJournal of Molecular Structure, 1982
- On the ab initio evaluation of the solvent shift of electronic absorption spectraChemical Physics Letters, 1981
- Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effectsChemical Physics, 1981
- The properties of the metal complex hydridesTheoretical Chemistry Accounts, 1979
- 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
- Ab initio calculation of potential energy surface and geometric structure of the LiBH4 non-rigid complex moleculeChemical Physics Letters, 1976
- Aqueous Solutions of Nonpolar Gases1The Journal of Physical Chemistry, 1965
- Reduction of Aldehydes, Ketones and Acid Chlorides by Sodium BorohydrideJournal of the American Chemical Society, 1949