The relation between the high-temperature and room-temperature structure of CsCuCl3 -C.J. Kroese and W.J.A. Maaskant.
Ab initio potential surfaces for ozone dissociation in its ground and various electronically excited states
β Scribed by A. Banichevich; S.D. Peyerimhoff; F. Grein
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 510 KB
- Volume
- 173
- Category
- Article
- ISSN
- 0009-2614
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New ab initio potential energy surfaces (PESs) of the ground and B (IB2) states of ozone have been calculated with the CASSCF-SECI/DZP method to describe the three-dimensional photodissociation process. The dissociation energy of the ground state and the vertical barrier height of the B PES are obta