ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Dissociation reactions of NaCl into the ionic and the neutral atomic states and the interactions Na+-Na+ and Cl--Cl- of the like ions are investigated quantum mechanically at the configuration interaction level of approximation. Data including the calculated total equilibrium energies, dissociation energies, and bond distances are reported together with the tabulated interaction energies at a wide range of nuclear separations.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560260816