Browsing by Author Bromley, Stefan Thomas

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Issue DateTitleAuthor(s)
27-Feb-2014Effect of Dimensionality and Polymorphism on the properties of ZnODemiroglu, Ilker
1-Aug-2016Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticlesCho, Daeheum; Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Bromley, Stefan Thomas; Lee, Jin Yong; Illas i Riera, Francesc
8-Jun-2022Efficiency of Interstellar Nanodust Heating: Accurate Bottom-up Calculations of Nanosilicate Specific Heat CapacitiesMariñoso Guiu, Joan; Bromley, Stefan Thomas
27-Jul-2022Efficient Routes for the Preparation of Urazole Radical Self-Assembled Monolayers on Gold SurfacesCampos Lendinez, Ángel; Crivillers, Núria; Bromley, Stefan Thomas; Rovira, Concepció; Breton, Gary W.; Mas Torrent, Marta
6-Mar-2023Emergent Spin Frustration in Neutral Mixed-Valence 2D Conjugated Polymers: A Potential Quantum Materials PlatformAlcón, Isaac; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas
5-Dec-2017Existence of multi-radical and closed-shell semiconducting states in post-graphene organic Dirac materialsAlcón Rovira, Isaac; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Bromley, Stefan Thomas
21-Apr-2021Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry SimulationsRimola, Albert; Bromley, Stefan Thomas
15-Feb-2017Global optimisation of hydroxylated silica clusters: a cascade Monte Carlo Basin Hopping approachCuko, Andi; Macià Escatllar, Antoni; Calatayud, Mònica; Bromley, Stefan Thomas
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