Browsing by Author Bromley, Stefan Thomas

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Issue DateTitleAuthor(s)
7-Dec-2022How graphenic are graphynes? Evidence for low-lying correlated gapped states in graphynesLleopart, Genís; Lopez Suarez, Miquel; De P.R. Moreira, Ibério; Bromley, Stefan Thomas
2006Importance of the embedding environment on the strain within small rings in siliceous materialsBromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C.
1-May-2015Kondo Effect in a Neutral and Stable All Organic Radical Single Molecule Break JunctionFrisenda, Riccardo; Gaudenzi, Rocco; Franco, Carlos; Mas Torrent, Marta; Rovira i Angulo, Concepció; Veciana, Jaume; Alcón Rovira, Isaac; Bromley, Stefan Thomas; Burzurí, Enrique; van der Zant, Herre S. J.
24-Sep-2018Modelling Nano-Oxide Materials with Technological and Environmental Relevance: Silica, Titania and TitanosilicatesCuko, Andi
13-Jun-2013Nanofilm versus Bulk Polymorphism in Wurtzite MaterialsDemiroglu, Ilker; Bromley, Stefan Thomas
10-May-2017Nucleation of small silicon carbide dust clusters in AGB starsGobrecht, David; Cristallo, Sergio; Piersanti, Luciano; Bromley, Stefan Thomas
18-Jan-2017Operative mechanism of hole-assisted negative charge motion in ground states of radical-anion molecular wiresFranco, Carlos; Mayorga Burrezo, Paula; Lloveras, Vega; Caballero, Ruben; Alcón Rovira, Isaac; Bromley, Stefan Thomas; Mas Torrent, Marta; Langa, Fernando; López Navarrete, Juan T.; Rovira i Angulo, Concepció; Casado, Juan; Veciana, Jaume
3-Jul-2008Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methodsZwijnenburg, M. A.; Sousa Romero, Carmen; Sokol, A. A.; Bromley, Stefan Thomas
21-Jan-2017Predicting size-dependent emergence of crystallinity in nanomaterials: titania nanoclusters versus nanocrystalsLamiel Garcia, Josep Oriol; Cuko, Andi; Calatayud, Mònica; Illas i Riera, Francesc; Bromley, Stefan Thomas
21-Jul-2010Prospective role of multicenter bonding for efficient and selective hydrogen transportStradi, Daniele; Illas i Riera, Francesc; Bromley, Stefan Thomas
14-Mar-2018Rational chemical design of Triarylmethyl-based devices and 2D materialsAlcón Rovira, Isaac
2-Feb-2015Reduced ceria nanofilms from structure predictionKozlov, Sergey; Demiroglu, Ilker; Neyman, Konstantin M.; Bromley, Stefan Thomas
3-Apr-2019Room temperature methane capture and activation by Ni clusters supported on TiC(001): effects of metal-carbide interactions on the cleavage of the C-H bondPrats Garcia, Hèctor; Gutiérrez, Ramón A.; Piñero, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc
28-Jul-2017Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulkViñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas
5-Nov-2015Structural control over spin localization in triarylmethylsAlcón Rovira, Isaac; Bromley, Stefan Thomas
17-Sep-2009The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructuresZwijnenburg, M. A.; Sokol, A. A.; Sousa Romero, Carmen; Bromley, Stefan Thomas
11-Feb-2011The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6Zwijnenburg, M. A.; Sousa Romero, Carmen; Illas i Riera, Francesc; Bromley, Stefan Thomas
12-Apr-2016Tuning Crystal Ordering, Electronic Structure, and Morphology in Organic Semiconductors: Tetrathiafulvalenes as a Model CasePfattner, Raphael; Bromley, Stefan Thomas; Rovira i Angulo, Concepció; Mas Torrent, Marta
11-Jan-2021Twistable Dipolar Aryl Rings as Electric Field Actuated Conformational Molecular SwitchesJutglar Lozano, Kílian; Santiago Piera, Raul; Ribas Ariño, Jordi; Bromley, Stefan Thomas
2007Ultralow-density nanocage-based metal-oxide polymorphsCarrasco Rodríguez, Javier; Illas i Riera, Francesc; Bromley, Stefan Thomas