Solvent induced changes in the electronic structure of a polar intermolecular exciplex
β Scribed by N. Orbach; M. Ottolenghi
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 729 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0009-2614
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We report on the firsr obxrvaGon of the csciples fluorssccnce via van dzr Waals complex lbrmation of l-cyanonaphthalcnc and triethyhminc in a supersonic molecular bcarn. The formarion of van der Waals complex is evidenced to play an important role in the esciples formation. The cffecl of escitation
## Abstract The effect of solvation on the electronic structure of the ubiqutin protein was analyzed using the __ab initio__ fragment molecular orbital (FMO) method. FMO calculations were performed for the protein __in vacuo__, and the protein was immersed in an explicit solvent shell as thick as 1