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The DFT study on racemisation of atropisomeric biaryls

The process of racemisation of atropisomeric biaryls was modelled by means of DFT calculations at an advanced B3LYP/6-31G* theoretical level. Thus, the detailed protocol of determination of the racemisation rate presented herein provides a practical prediction tool for elucidation of the configurati...

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Kaydedildi:
Detaylı Bibliyografya
Asıl Yazarlar: Katarzyna Kapłon, Oleg M. Demchuk, K. M. Pietrusiewicz
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Growing Science 2015-09-01
Seri Bilgileri:Current Chemistry Letters
Konular:
DFT
Online Erişim:http://www.growingscience.com/ccl/Vol4/ccl_2015_15.pdf
Etiketler: Etiketle
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