The vapour phase complex HFAlF3. A new ab initio molecular orbital study
- 1 April 1993
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 205 (6) , 550-554
- https://doi.org/10.1016/0009-2614(93)80011-d
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- Ab initio MO calculations of high temperature gaseous fluorine complexes MAlF4 (M = H, Li or Na): a comparative study using different basis setsJournal of Molecular Structure: THEOCHEM, 1992
- Zum thermischen Verhalten von Aluminiumfluoridhydroxidhydrat AlF2,3(OH)0,7(H2O)Zeitschrift für anorganische und allgemeine Chemie, 1992
- The vapour-phase complex AlF3(HF)2: an ab initio molecular orbital studyChemical Physics Letters, 1991
- Gaussian-2 theory for molecular energies of first- and second-row compoundsThe Journal of Chemical Physics, 1991
- NDDO and ab initio molecular orbital studies of vapor phase complexes between hf and AlF3 moleculesJournal of Molecular Structure: THEOCHEM, 1991
- The HF-AlF3 gas-phase complex: An ab initio molecular orbital studyChemical Physics Letters, 1989
- Massenspektroskopische Analyse der Verdampfung von AlF3Zeitschrift für anorganische und allgemeine Chemie, 1987
- Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–FJournal of Computational Chemistry, 1983
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970