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:
Ab initio calculations are performed with 6-31G basis set to study the geometry and binding of the H3O2-, H5O3-, H7O4-, and H9O5- complexes. The H3O2- complex is also investigated with the 6-31 G* basis set and MP2 (Moller-Plesset perturbation theory of second order).
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560260207
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