The model for the potential energy surface of H-H2 in the intermediate- and long-range region
β Scribed by K.T. Tang; J.Peter Toennies
- Book ID
- 107733201
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 604 KB
- Volume
- 151
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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The reaction of 'bare' Al+ with water has been examined by ab initio MP2 and QCISD (T ) methods. The Al( Hz0 ) + adduct is found to correspond to the global minimum with a bond dissociation energy of BDE = 28.8 kcal/mol. The inserted HAlOH+ isomer is less stable by 8.6 kcal/mol. Both isomers are sep
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