Geometry optimization in ab initio SCF calculations. VII. Proton affinities and ion structures calculated with floating orbital geometry optimization (FOGO)
- 1 February 1982
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 64 (3) , 399-411
- https://doi.org/10.1016/0301-0104(82)80008-6
Abstract
No abstract availableThis publication has 55 references indexed in Scilit:
- The proton affinity of ammonia. A theoretical determinationThe Journal of Physical Chemistry, 1980
- Geometry optimization inab initio SCF calculationsTheoretical Chemistry Accounts, 1980
- A molecular orbital study of protonation. Geometry and basis set dependence of computed proton affinitiesChemical Physics Letters, 1978
- Gas phase basicities and relative proton affinities of compounds between water and ammonia from pulsed ion cyclotron resonance thermal equilibriums measurementsJournal of the American Chemical Society, 1977
- Approximation of d- and f-type orbitals by spherical gaussian functionsChemical Physics Letters, 1973
- The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments (gvalues), magnetic susceptibilities, and molecular quadrupole momentsMolecular Physics, 1971
- 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
- Gaussian basis sets for the first and second row atomsTheoretical Chemistry Accounts, 1970
- Accurate Adiabatic Treatment of the Ground State of the Hydrogen MoleculeThe Journal of Chemical Physics, 1964
- The Microwave Spectrum of KeteneThe Journal of Chemical Physics, 1952