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Development of a Q2MM Force Field for the Silver(I)-Catalyzed Hydroamination of Alkynes

✍ Scribed by Patrick J. Donoghue; Elsa Kieken; Paul Helquist; Olaf Wiest

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
211 KB
Volume
349
Category
Article
ISSN
1615-4150

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✍ Lamprecht, Delanie; Lamprecht, Gert J. 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 280 KB 👁 1 views

The main purpose of the development of an Rh(I) Carbonyl Phosphine force field was to predict the molecular structure of Rh(I) complexes as well as to compute possible intermediates or transition states during the oxidative addition of CH 3 I to these complexes.