From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited

Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP04654K, PaperOleg B. Beletsan, Igor Gordiy, Sergey S. Lunkov, Mikhail A. Kalinin, Larisa E. Alkhimova, Egor A. Nosach, Egor A. Ilin, Alexandr V. Bespalov, Olgert L. Dallakyan, Aleksandr A. Chamkin, Ilya V. Prolomov, Radion A. Zaripov, Andrey A. Pershin, Bogdan O. Protsenko, Yury V. Rusalev, Ruslan A. Oganov, Diana K. Kovaleva, Vladimir A. Mironov, Victor V. Dotsenko, Alexandr M. Genaev, Dmitry I. Sharapa, Denis S. Tikhonov Starting from a joke in a social network, we performed a theoretical investigation of the mechanism for the catalytic formation of isocyanates. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - April 24, 2024 Category: Chemistry Authors: Oleg B. Beletsan Source Type: research