A DFT Computational Study of the Bis-Silylation Reaction of Acetylene Catalyzed by Palladium Complexes

2002 ◽  
Vol 124 (19) ◽  
pp. 5506-5513 ◽  
Author(s):  
Andrea Bottoni ◽  
Alicia Perez Higueruelo ◽  
Gian Pietro Miscione
Keyword(s):  
Computational Study ◽  
Palladium Complexes ◽  
Silylation Reaction

N , N ′‐bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction

2020 ◽  
Vol 34 (10) ◽  
Author(s):  
Ming‐Tsz Chen ◽  
Bing‐Yan Hsieh ◽  
Yi‐Hung Liu ◽  
Kuo‐Hui Wu ◽  
Natália Lussari ◽  
...  
Keyword(s):  
Computational Study ◽  
Suzuki Reaction ◽  
Palladium Complexes

Experimental and Computational Study of the Structure, Steric Properties, and Binding Equilibria of Neopentylphosphine Palladium Complexes

2020 ◽  
Vol 59 (8) ◽  
pp. 5579-5592
Author(s):  
Kerry L. Barnett ◽  
Monica Vasiliu ◽  
Trent H. Stein ◽  
Matthew V. Delahay ◽  
Fengrui Qu ◽  
...  
Keyword(s):  
Computational Study ◽  
Palladium Complexes

A DFT computational study of the mechanism of butadiene carbonylation catalyzed by palladium complexes

2006 ◽  
Vol 104 (5-7) ◽  
pp. 805-831 ◽  
Author(s):  
M. A. Carvajal ◽  
G. P. Miscione ◽  
A. Accardi ◽  
J. J. Novoa ◽  
A. Bottoni
Keyword(s):  
Computational Study ◽  
Palladium Complexes

DFT Computational Study of the Mechanism of Allyl Chloride Carbonylation Catalyzed by Palladium Complexes

2005 ◽  
Vol 24 (9) ◽  
pp. 2086-2096 ◽  
Author(s):  
M. Angels Carvajal ◽  
Gian Pietro Miscione ◽  
Juan J. Novoa ◽  
Andrea Bottoni
Keyword(s):  
Computational Study ◽  
Allyl Chloride ◽  
Palladium Complexes

Computational study of the copolymerization mechanism of ethylene with methyl 2-acetamidoacrylate catalyzed by phosphine-sulfonate palladium complexes

2021 ◽  
Author(s):  
Andleeb Mehmood ◽  
Xiaowei Xu ◽  
Waseem Raza ◽  
Deepak Kukkar ◽  
Ki-Hyun Kim ◽  
...  
Keyword(s):  
Computational Study ◽  
Palladium Complexes

In this research, a computational study is carried out to describe the insertion of a vital monomer, methyl 2-acetamidoacrylate (MAAA), into catalyst A (A = [(POOMe,OMe)PdMe]) (POOMe,OMe = 2[2-MeOC6H4](2-SO3-5-MeC6H4)P).

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