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Vibrational motion in isotopomers of the HeH+ molecular ion: An application of the electron nuclear dynamics method
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
1997 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 63, no 2, 415-424 p.Article in journal (Other scientific) Published
Abstract [en]

The importance of isotopic substitution as a tool for elucidation of chemical reaction events originates in the fact that the Coulombic Hamiltonian is isotopically invariant except for the nuclear kinetic energy term. Thus, in theories of isotope effects

Place, publisher, year, edition, pages
1997. Vol. 63, no 2, 415-424 p.
Keyword [en]
MODEL
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URN: urn:nbn:se:uu:diva-41676OAI: oai:DiVA.org:uu-41676DiVA: diva2:69577
Note
UNIV UPPSALA, DEPT QUANTUM CHEM, S-75120 UPPSALA, SWEDEN. UNIV FLORIDA, QUANTUM THEORY PROJECT, GAINESVILLE, FL 32611.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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