Timing and Structures of σ-Bond Metathesis C–H Activation Reactions from Quasiclassical Direct Dynamics Simulations

Autor:	Ryan Carlsen, Steven M. Maley, Daniel H. Ess
Rok vydání:	2021
Předmět:	Inorganic Chemistry Alkane chemistry.chemical_classification 010405 organic chemistry Chemistry Computational chemistry Organic Chemistry Physical and Theoretical Chemistry 010402 general chemistry Metathesis 01 natural sciences 0104 chemical sciences
Zdroj:	Organometallics. 40:1454-1465
ISSN:	1520-6041 0276-7333
Popis:	Metal-mediated σ-bond metathesis and σ-complex-assisted metathesis (σ-CAM) reactions represent a major class of alkane C–H activation reactions. Here, we present quasiclassical direct dynamics traj...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a5fe3c4470e5a331c0cf010caee5078b https://doi.org/10.1021/acs.organomet.1c00102 Zobrazit plný text záznamu