Spin-orbit coupling in complexes of toluene with rare gas atoms
The potential energy surfaces (PESs) and S(1)-T(1) spin-orbit coupling matrix element (SOCME) surfaces are investigated for the toluene-X weakly bound clusters (X=Ne, Ar, and Kr). Calculations of the vibrational wave functions using a one-dimensional stretch model are presented and used to determine...
| Auteurs principaux: | , , , |
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| Format: | Journal article |
| Langue: | English |
| Publié: |
AIP Publishing
2007
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