scholarly journals Theoretical Study on the Degree of CO2 Activation in CO2-Coordinated Ni(0) Complexes

ACS Omega ◽  
2021 ◽  
Author(s):  
Joonho Park ◽  
Moses Cho ◽  
Young Min Rhee ◽  
Yousung Jung
Keyword(s):  
Theoretical Study ◽  
Co2 Activation

Theoretical study of CO2 activation on Pt(111) induced by coadsorbed K atoms

2000 ◽  
Vol 460 (1-3) ◽  
pp. 170-181 ◽  
Author(s):  
Josep M. Ricart ◽  
Marie P. Habas ◽  
Anna Clotet ◽  
Daniel Curulla ◽  
Francesc Illas
Keyword(s):  
Theoretical Study ◽  
Co2 Activation

Mechanistic aspects of CO2 activation mediated by phenyl yttrium cation: A combined experimental/theoretical study

2016 ◽  
Vol 343 ◽  
pp. 68-74 ◽  
Author(s):  
Marjan Firouzbakht ◽  
Maria Schlangen ◽  
Martin Kaupp ◽  
Helmut Schwarz
Keyword(s):  
Theoretical Study ◽  
Co2 Activation

scholarly journals Experimental and theoretical study for CO2 activation and chemical fixation with epoxides

RSC Advances ◽  
2019 ◽  
Vol 9 (23) ◽  
pp. 13122-13127 ◽  
Author(s):  
Jinwei Gao ◽  
Liuyi Li ◽  
Caiyan Cui ◽  
Muhammad Asad Ziaee ◽  
Yaqiong Gong ◽  
...  
Keyword(s):  
Theoretical Calculation ◽  
Theoretical Study ◽  
Co2 Activation ◽  
Chemical Fixation ◽  
Metal Free

NEt3/NBu4Br works as an excellent metal-free catalyst for CO2 cycloaddition with epoxides and the detailed process of CO2 activation by NEt3 is first studied by theoretical calculation.

Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

1987 ◽  
Vol 84 ◽  
pp. 799-803 ◽  
Author(s):  
Vincenzo Barone ◽  
Francesco Lelj ◽  
Nino Russo ◽  
Marirosa Toscano
Keyword(s):  
Theoretical Study
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