Resultats globals: 2 registres trobats en 0.04 segons.
Articles, 2 registres trobats
Articles 2 registres trobats  
1.
6 p, 651.3 KB Reaction rate inside the cavity of [Ga4L6]12− supramolecular metallocage is regulated by the encapsulated solvent / Norjmaa, Gantulga (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química) ; Ujaque Pérez, Gregori (Universitat Autònoma de Barcelona. Departament de Química)
In the present study the dependence of the reaction rate of carbon-carbon reductive elimination from R3PAu(MeOH)(CH3)2 (R=Me, Et) complexes inside [Ga4L6]12− metallocage on the nature of the phosphine ligand is investigated by computational means. [...]
2020 - 10.1002/chem.201905608
Chemistry, Vol. 26, issue 31 (June 2020) , p. 6988-6992  
2.
17 p, 4.0 MB Gas-Phase and Microsolvated Glycine Interacting with Boron Nitride Nanotubes : a B3LYP-D2* Periodic Study / Rimola, Albert (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química)
The adsorption of glycine (Gly) both in gas-phase conditions and in a microsolvated state on a series of zig-zag (n,0) single-walled boron nitride nanotubes (BNNTs, n = 4, 6, 9 and 15) has been studied by means of B3LYP-D2* periodic calculations. [...]
2014 - 10.3390/inorganics2020334
Inorganics, Vol. 2 (2014) , p. 334-350  

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