Journal article
ISOTOPE AND POTENTIAL-ENERGY SURFACE EFFECTS IN VIBRATIONAL BONDING
- Abstract:
-
Variational calculations of vibrational energy levels have been carried out in order to study vibrational bonding for the IXI and BrXBr molecules with X = Mu, H, and D. Extended London-Eyring-Polanyi-Sato (LEPS) and three-center diatomics-in-molecules (DIM) potential energy surfaces have been used for IXI. For BrXBr, a three-center DIM potential surface was employed. The LEPS surface is purely repulsive, whereas the DIM potentials possess two van der Waals minima. The variational calculations...
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- Publication status:
- Published
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- Publisher copy:
- 10.1021/j150657a018
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Bibliographic Details
- Journal:
- JOURNAL OF PHYSICAL CHEMISTRY
- Volume:
- 88
- Issue:
- 13
- Pages:
- 2758-2764
- Publication date:
- 1984-01-01
- DOI:
- EISSN:
-
1541-5740
- ISSN:
-
0022-3654
- Source identifiers:
-
52927
Item Description
- Language:
- English
- Pubs id:
-
pubs:52927
- UUID:
-
uuid:c98b921a-94b2-4ee8-9bc2-78ceaec9c60e
- Local pid:
- pubs:52927
- Deposit date:
- 2013-11-17
Terms of use
- Copyright date:
- 1984
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