Ab Initio Study of Gas-Phase Proton Transfer in Ammonia−Hydrogen Halides and the Influence of Water Molecules
- 31 August 1999
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (38) , 7719-7724
- https://doi.org/10.1021/jp991918j
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Structure and stability of the nitric acid–ammonia complex in the gas phase and in waterThe Journal of Chemical Physics, 1997
- Rotational spectrum of the trimethylamine-hydrogen iodide dimer: An ion pair (CH3)3NH+⋅⋅⋅I− in the gas phaseThe Journal of Chemical Physics, 1993
- Intramolecular electron correlation in the self-consistent reaction field model of solvation. A MP2/6-31G** ab initio study of the NH3HCl complexChemical Physics Letters, 1992
- The rotational spectrum and nature of the heterodimer in trimethylammonium bromide vaporThe Journal of Chemical Physics, 1990
- An investigation of the trimethylammonium chloride molecule in the vapor phase by pulsed-nozzle, Fourier-transform microwave spectroscopyThe Journal of Chemical Physics, 1989
- The proton position in hydrogen halide-amine complexes. BrH-NH3 and BrH-NH2CH3Chemical Physics Letters, 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
- Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18The Journal of Chemical Physics, 1980
- Møller–Plesset theory for atomic ground state energiesInternational Journal of Quantum Chemistry, 1975
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934