Accurate ab initio gradient calculation of the structures and conformations of some boric and fluoroboric acids. Basis-set effects on angles around oxygen
- 1 July 1981
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 76 (4) , 329-347
- https://doi.org/10.1016/0166-1280(81)85088-9
Abstract
No abstract availableThis publication has 23 references indexed in Scilit:
- Microwave spectrum of fluorodihydroxy borane, BF(OH)2Journal of Molecular Spectroscopy, 1979
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Microwave spectroscopic detection of BFHOH and BH(OH)2Chemical Physics Letters, 1978
- The tilt and asymmetry of methyl groups in asymmetric environmentsJournal of the American Chemical Society, 1977
- Molecular orbital theory of the electron structure of organic compounds. XXIV. Geometries and energies of small boron compounds. Comparisons with carbocationsJournal of the American Chemical Society, 1975
- Barrier to internal rotation and π-bonding In hydroxyborane, H2BOH, studied by ab in1tio calculationsJournal of Molecular Structure, 1975
- An ab initio molecular orbital study of some coordination compounds of boron trifluorideInorganica Chimica Acta, 1974
- Microwave Spectrum of BF2OHThe Journal of Chemical Physics, 1972
- Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1971
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969