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Vibrational motion in isotopomers of the HeH+ molecular ion: An application of the electron nuclear dynamics method
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- Bergson, G (author)
- Uppsala universitet,Institutionen för kvantkemi
- Calais, JL (author)
- Morales, J (author)
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- Ohrn, YV (author)
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- 1997
- 1997
- English.
- In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - 0020-7608. ; 63:2, s. 415-424
- Journal article (other academic/artistic)
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- 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
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