Synthesis of vinyl phosphonates from aliphatic alkynes catalyzed by CuNPs/ZnO. A DFT study of the reaction mechanism, effect of the catalyst and solvent.

2015 ◽  
Author(s):  
Viviana Dorn ◽  
Leandro Fortunato ◽  
Gabriel Radivoy
Keyword(s):  
Reaction Mechanism ◽  
Dft Study ◽  
Vinyl Phosphonates

scholarly journals Hydrophosphorylation of aliphatic alkynes catalyzed by CuNPs/ZnO for the synthesis of vinyl phosphonates. A DFT study on the reaction mechanism

RSC Advances ◽  
2017 ◽  
Vol 7 (30) ◽  
pp. 18707-18713 ◽  
Author(s):  
Leandro Fortunato ◽  
Yanina Moglie ◽  
Viviana Dorn ◽  
Gabriel Radivoy
Keyword(s):  
Reaction Mechanism ◽  
Essential Role ◽  
Catalyst Support ◽  
Dft Study ◽  
Vinyl Phosphonates

A DFT study on the reaction mechanism for the synthesis of vinyl phosphonates catalyzed by CuNPs/ZnO. Essential role of the solvent and the catalyst support.

Relativistic DFT Study on the Reaction Mechanism of Second-Row Transition Metal Ru with CO2

2006 ◽  
Vol 110 (10) ◽  
pp. 3552-3558 ◽  
Author(s):  
Xian-Yang Chen ◽  
Yi-Xin Zhao ◽  
Shu-Guang Wang
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Dft Study ◽  
Relativistic Dft

Carbonylative Cycloaddition of Allyl Halides and Acetylenes Promoted by Ni(CO)4. A DFT Study on the Reaction Mechanism

2000 ◽  
Vol 19 (18) ◽  
pp. 3516-3526 ◽  
Author(s):  
Jorge J. Carbó ◽  
Carles Bo ◽  
Josep M. Poblet ◽  
Josep M. Moretó
Keyword(s):  
Reaction Mechanism ◽  
Dft Study ◽  
Allyl Halides

DFT Study of deNOxReactions in the Gas Phase: Mimicking the Reaction Mechanism over BaNaY Zeolites

2009 ◽  
Vol 113 (24) ◽  
pp. 6730-6739 ◽  
Author(s):  
Chun-Yi Sung ◽  
Randall Q. Snurr ◽  
Linda J. Broadbelt
Keyword(s):  
Reaction Mechanism ◽  
Gas Phase ◽  
Dft Study

DFT Study of the 1-Octene Metathesis Reaction Mechanism with WCl6/C Catalytic System

2008 ◽  
Vol 112 (20) ◽  
pp. 4636-4643 ◽  
Author(s):  
Dilek Yüksel ◽  
Bülent Düz ◽  
Fatma Sevin
Keyword(s):  
Reaction Mechanism ◽  
Catalytic System ◽  
Dft Study ◽  
Metathesis Reaction

DFT study of VOC pollutants catalyzed by optimal MoxOy: exploration of reaction mechanism of CH3R (R=CHO, CH2OH) + MoO2

2020 ◽  
Vol 139 (8) ◽  
Author(s):  
Xiaozhen Gao ◽  
Yu Pang ◽  
Jing Yang ◽  
Xiaochun Yang ◽  
Yulong Shen ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Dft Study
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