Resultats globals: 6 registres trobats en 0.03 segons.
Articles, 5 registres trobats
Documents de recerca, 1 registres trobats
Articles 5 registres trobats  
1.
13 p, 3.2 MB Formamide adsorption at the amorphous silica surface : A combined experimental and computational approach / Signorile, M. (Università di Torino. Dipartimento di Chimica and NIS) ; Salvini, Clara (Università di Torino. Dipartimento di Chimica and NIS) ; Zamirri, Lorenzo (Università di Torino. Dipartimento di Chimica and NIS) ; Bonino, Francesca (Università di Torino. Dipartimento di Chimica and NIS) ; Martra, Gianmario (Università di Torino. Dipartimento di Chimica and NIS) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Ugliengo, Piero (Università di Torino. Dipartimento di Chimica and NIS)
Mineral surfaces have been demonstrated to play a central role in prebiotic reactions, which are understood to be at the basis of the origin of life. Among the various molecules proposed as precursors for these reactions, one of the most interesting is formamide. [...]
2018 - 10.3390/life8040042
Life, Vol. 8, Núm. 4 (december 2018) , art. 42  
2.
20 p, 2.7 MB Thermal and transport properties of pristine single-layer hexagonal boron nitride : a first principles investigation / Illera Sergio (Institut Català de Nanociència i Nanotecnologia) ; Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ; Colombo, Luciano (Institut Català de Nanociència i Nanotecnologia) ; Ordejón Rontomé, Pablo (Institut Català de Nanociència i Nanotecnologia)
Molecular dynamics is used in combination with density functional theory to determine the thermal transport properties of the single-layer hexagonal boron nitride (SL h-BN) from ab initio calculations. [...]
2017 - 10.1103/PhysRevMaterials.1.044006
Physical review materials, Vol. 1, issue 4 (Sep. 2017) , art. 44006  
3.
7 p, 4.4 MB NH₃ molecular doping of silicon nanowires grown along the [112], [110], [001], and [111] orientations / Miranda, Álvaro (Universitat Autònoma de Barcelona. Institut de Ciència de Materials de Barcelona) ; Cartoixà Soler, Xavier (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica) ; Canadell Casanova, Enric (Universitat Autònoma de Barcelona. Institut de Ciència de Materials de Barcelona) ; Rurali, Riccardo (Universitat Autònoma de Barcelona. Institut de Ciència de Materials de Barcelona)
The possibility that an adsorbed molecule could provide shallow electronic states that could be thermally excited has received less attention than substitutional impurities and could potentially have a high impact in the doping of silicon nanowires (SiNWs). [...]
2012 - 10.1186/1556-276X-7-308
Nanoscale Research Letters, Vol. 7 (June 2012) , art. 308  
4.
13 p, 1.6 MB Influence of Defects in Boron Nitride Nanotubes in the Adsorption of Molecules : Insights from B3LYP-D2* Periodic Simulations / Matarín, Oriol. Universitat Autònoma de Barcelona. Departament de Química ; Rimola Gibert, Albert (Universitat Autònoma de Barcelona. Departament de Química)
The adsorption of H2O, NH3 and HCOOH as polar molecules and C6H6 and CH4 as non-polar ones on a series of zig-zag (6,0) single-walled boron nitride nanotubes (BNNTs) both being defect-free (P_BNNT) and containing defects at the nanotube walls has been studied by means of B3LYP-D2* periodic calculations. [...]
2016 - 10.3390/cryst6050063
Crystals, Vol. 6 (May 2016) , p. 1-13  
5.
17 p, 4.0 MB Gas-Phase and Microsolvated Glycine Interacting with Boron Nitride Nanotubes : a B3LYP-D2* Periodic Study / Rimola Gibert, 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  

Documents de recerca 1 registres trobats  
1.
314 p, 19.5 MB Estudios mecanísticos de metátesis de olefinas con catalizadores tipo Grubbs-Hoveyda: activación y recuperación del precursor y selectividad del ciclo catalítico / Núñez Zarur, Francisco ; Solans Monfort, Xavier, dir. (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis, dir. (Universitat Autònoma de Barcelona. Departament de Química) ; Universitat Autònoma de Barcelona. Departament de Química
La metátesis de olefinas es el intercambio de sustituyentes entre dos unidades de alqueno. La importancia de esta reacción radica en su aplicación directa en la síntesis de una gran cantidad de sustancias, desde polímeros hasta moléculas con actividad biológica. [...]
The olefin metathesis reaction is the substituent exchange between two alkene molecules. This reaction is important because of its application in the synthesis of several compounds, from polymers to biologically active molecules. [...]

[Barcelona] : Universitat Autònoma de Barcelona, 2012  

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