Theoretical Studies on the Addition of Polymetallic Lithium Organocuprate Clusters to Acetylene. Cooperative Effects of Metals in a Trap-and-Bite Reaction Pathway

1997 ◽  
Vol 119 (21) ◽  
pp. 4887-4899 ◽  
Author(s):  
Eiichi Nakamura ◽  
Seiji Mori ◽  
Masaharu Nakamura ◽  
Keiji Morokuma
Keyword(s):  
Reaction Pathway ◽  
Theoretical Studies ◽  
Cooperative Effects

Theoretical studies on a possible synthesis reaction pathway on N8 (CS) clusters

2001 ◽  
Vol 22 (13) ◽  
pp. 1334-1339 ◽  
Author(s):  
Li Jie Wang ◽  
Se Li ◽  
Qian Shu Li
Keyword(s):  
Reaction Pathway ◽  
Theoretical Studies ◽  
Synthesis Reaction

Theoretical studies on the possible reaction pathway for the deacylation of the AChE-catalyzed reaction

1999 ◽  
Vol 74 (3) ◽  
pp. 315-325 ◽  
Author(s):  
Qin Mi Wang ◽  
Hua Liang Jiang ◽  
Kai Xian Chen ◽  
Ru Yun Ji ◽  
Yuan-Jie Ye
Keyword(s):  
Reaction Pathway ◽  
Theoretical Studies

Experimental and theoretical studies on glucose conversion in ethanol solution to 5-ethoxymethylfurfural and ethyl levulinate catalyzed by a Brønsted acid

2021 ◽  
Author(s):  
Shijie Wang ◽  
Yihang Chen ◽  
Yu Jia ◽  
Guizhuan Xu ◽  
Chun Chang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Reaction Pathway ◽  
Ethanol Solution ◽  
Theoretical Studies ◽  
Bronsted Acid ◽  
Brønsted Acid ◽  
Ethyl Levulinate ◽  
Alcoholysis Reaction ◽  
Brönsted Acid ◽  
Experimental And Theoretical Studies

DFT calculations combined with experiments were used to discover the mechanism and reaction pathway of the glucose alcoholysis reaction.

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