Reducing density-driven error without exact exchange

2017 ◽  
Vol 19 (6) ◽  
pp. 4793-4801 ◽  
Author(s):  
Benjamin G. Janesko
Keyword(s):  
Hydrogen Transfer ◽  
Transfer Reaction ◽  
Density Functionals ◽  
Hydrogen Transfer Reaction ◽  
Exact Exchange ◽  
Reaction Barriers ◽  
Improved Performance

PBE calculations, performed non-self-consistently on densities evaluated with Rung 3.5 density functionals, give improved performance for hydrogen transfer reaction barriers.

Nitrobenzene as Hydrogen Acceptor in Pd/C-Catalyzed Hydrogen Transfer Reaction.

ChemInform ◽  
2005 ◽  
Vol 36 (45) ◽  
Author(s):  
Takanori Tanaka ◽  
Hirotoshi Kawabata ◽  
Masahiko Hayashi
Keyword(s):  
Hydrogen Transfer ◽  
Transfer Reaction ◽  
Hydrogen Acceptor ◽  
Hydrogen Transfer Reaction

Synthesis of heterogeneous Ru(ii)-1,2,3-triazole catalyst supported over SBA-15: application to the hydrogen transfer reaction and unusual highly selective 1,4-disubstituted triazole formation via multicomponent click reaction

2018 ◽  
Vol 8 (13) ◽  
pp. 3246-3259 ◽  
Author(s):  
Priti Sharma ◽  
Jayant Rathod ◽  
A. P. Singh ◽  
Pradeep Kumar ◽  
Yoel Sasson
Keyword(s):  
Hydrogen Transfer ◽  
Transfer Reaction ◽  
Click Reaction ◽  
Solid Catalyst ◽  
One Pot ◽  
Hydrogen Transfer Reaction ◽  
Excellent Yield

Remarkable reactivity of solid catalyst in H2O medium for the regioselective 1,4-disubstituted 1,2,3-triazole with excellent yield in one pot.

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