AM1 study of the twisted intramolecular
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T. Soujanya; G. Saroja; A. Samanta
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Article
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1995
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Elsevier Science
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English
⚖ 689 KB
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