DOI: 10.1063/1.1696716. Theoretical Investigation of H3O+

10.1063/1.1696716

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A single-center molecular wavefunction for H3O+ consisting of nine terms is obtained. Each term is a symmetry-adapted combination of Slater determinants and each determinant is composed of Slater-type orbitals having noninteger principal quantum numbers. Up to and including f orbitals are considered and in the final wavefunction there are nine linear and 24 nonlinear parameters in all; these are determined variationally. The molecule is predicted to be a rather flat pyramid (H–O–H angle: 114°26′) having a bond distance of 0.95 Å; this is in accord with experimental observation.

Bibliography

Bishop, D. M. (1965). Theoretical Investigation of H3O+. The Journal of Chemical Physics, 43(12), 4453â4457.

Authors 1

David M. Bishop (first)

References 43 Referenced 25

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Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:01 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 7:33 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 10:42 p.m.)
Issued	59 years, 8 months ago (Dec. 15, 1965)
Published	59 years, 8 months ago (Dec. 15, 1965)
Published Print	59 years, 8 months ago (Dec. 15, 1965)

Funders 0

None

BibTeX

@article{Bishop_1965, title={Theoretical Investigation of H3O+}, volume={43}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1696716}, DOI={10.1063/1.1696716}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bishop, David M.}, year={1965}, month=dec, pages={4453–4457} }

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