Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions
| Autor: | N. I. Butkovskaya, José C. Corchado, D. W. Setser, Joaquin Espinosa-Garcia |
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| Rok vydání: | 2019 |
| Předmět: |
Materials science
010304 chemical physics Thermodynamics Bending 010402 general chemistry 01 natural sciences Bending force 0104 chemical sciences Degree (temperature) 0103 physical sciences Potential energy surface Formation water Physical and Theoretical Chemistry Constant (mathematics) Excitation |
| Zdroj: | Theoretical Chemistry Accounts. 138 |
| ISSN: | 1432-2234 1432-881X |
| DOI: | 10.1007/s00214-019-2506-2 |
| Popis: | The bending force constant associated with formation water that is selected for the potential energy surface describing the OH/OD + GeH4 reaction is shown to be important for the degree of bending excitation of H2O and HOD. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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