Ab initio calculations of nuclear quadrupole coupling constants of low‐lying rovibrational levels in the X1Σ+ and a1Σ+ states of all isotopic species of LiH
- 1 August 1990
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 38 (2) , 283-295
- https://doi.org/10.1002/qua.560380224
Abstract
No abstract availableKeywords
This publication has 46 references indexed in Scilit:
- The effect of intermolecular interactions on the electric field gradients in solid ammonia, tetrazole and imidazoleMolecular Physics, 1987
- The prediction of nuclear quadrupole moments from a b i n i t i o quantum chemical studies on small molecules. II. The electric field gradients at the 17O, 35Cl, and 2H nuclei in CO, NO+, OH−, H2O, CH2O, HCl, LiCl, and FClThe Journal of Chemical Physics, 1987
- The effects of intermolecular interactions on the electric field gradients in ice and liquid waterMolecular Physics, 1987
- Deuterium quadrupole coupling constants. A theoretical investigationThe Journal of Chemical Physics, 1985
- Ab initio quantum chemical studies of electric field gradients in the hydrogen bonded molecular nitrogen-hydrogen fluoride and molecular nitrogen-hydrogen chloride complexesThe Journal of Physical Chemistry, 1985
- Theoretical study of the variability of the electric field gradient tensor of oxygen nuclei in organic moleculesThe Journal of Physical Chemistry, 1984
- Electric field gradient and electronic structure of linear-bonded halide compoundsPhysical Review B, 1983
- Deuteron quadrupole coupling in hydrogen bonded molecules. V. Relationship of experiment to theoryThe Journal of Chemical Physics, 1982
- Quadrupole moment of the deuteron from a precise calculation of the electric field gradient inPhysical Review A, 1979
- Variational calculation of the lowestandstates of Li andby the Hylleraas methodPhysical Review A, 1978