The twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile has been studied using Austin model 1 (AMI) semi-empirical calculations. A detailed picture of the twisting process is obtained by calculation of the ground and excited state profiles as a function of twist an
โฆ LIBER โฆ
Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile
โ Scribed by Wibke Sudholt; Andrzej L Sobolewski; Wolfgang Domcke
- Book ID
- 108430768
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 211 KB
- Volume
- 240
- Category
- Article
- ISSN
- 0301-0104
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