1. A simple model to engineer single-molecule conductance of acenes by chemical disubstitution. Issue 2 (15th December 2021) Authors: Fallaque, Joel G.; Rodríguez-González, Sandra; Díaz, Cristina; Martín, Fernando Journal: Nanoscale Issue: Volume 14:Issue 2(2022) Page Start: 464 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Efficient photogeneration of nonacene on nanostructured graphene. Issue 9 (24th June 2021) Authors: Ayani, Cosme G.; Pisarra, Michele; Urgel, José I.; Navarro, Juan Jesús; Díaz, Cristina; Hayashi, Hironobu; Yamada, Hiroko; Calleja, Fabian; Miranda, Rodolfo; Fasel, Roman; Martín, Fernando; Vázquez de Parga, Amadeo L. Journal: Nanoscale horizons Issue: Volume 6:Issue 9(2021) Page Start: 744 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Engineering the HOMO–LUMO gap of indeno[1, 2-b]fluorene. Issue 32 (3rd August 2022) Authors: Casares, Raquel; Martínez-Pinel, Álvaro; Rodríguez-González, Sandra; Márquez, Irene R.; Lezama, Luis; González, M. Teresa; Leary, Edmund; Blanco, Víctor; Fallaque, Joel G.; Díaz, Cristina; Martín, Fernando; Cuerva, Juan M.; Millán, Alba Journal: Journal of materials chemistry Issue: Volume 10:Issue 32(2022) Page Start: 11775 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Evaluation of the role of graphene-based Cu(i) catalysts in borylation reactions. Issue 10 (7th April 2021) Authors: Franco, Mario; Sainz, Raquel; Lamsabhi, Al Mokhtar; Díaz, Cristina; Tortosa, Mariola; Cid, M. Belén Journal: Catalysis science & technology Issue: Volume 11:Issue 10(2021) Page Start: 3501 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Grazing incidence fast atom and molecule diffraction: theoretical challenges. Issue 26 (22nd June 2022) Authors: Díaz, Cristina; Gravielle, María Silvia Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 26(2022) Page Start: 15628 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Molecular Modelling of the H2‐Adsorptive Properties of Tetrazolate‐Based Metal−Organic Frameworks: From the Cluster Approach to Periodic Simulations. Issue 11 (26th April 2018) Authors: Brea, Oriana; Luna, Alberto; Díaz, Cristina; Corral, Inés Journal: Chemphyschem Issue: Volume 19:Issue 11(2018) Page Start: 1349 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions. Issue 6 (28th December 2018) Authors: Robertson, Christopher; González‐Vázquez, Jesús; Corral, Ines; Díaz‐Tendero, Sergio; Díaz, Cristina Journal: Journal of computational chemistry Issue: Volume 40:Issue 6(2019) Page Start: 794 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Performance of van der Waals DFT approaches for helium diffraction on metal surfaces. (4th February 2019) Authors: del Cueto, Marcos; Maurer, Reinhard J; Al Taleb, Amjad; Farías, Daniel; Martín, Fernando; Díaz, Cristina Journal: Journal of physics Issue: Volume 31:Number 13(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surface. Issue 28 (9th July 2019) Authors: del Cueto, Marcos; Muzas, Alberto S.; Frankcombe, Terry J.; Martín, Fernando; Díaz, Cristina Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 28(2019) Page Start: 15879 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Quantum and classical dynamics of reactive scattering of H2 from metal surfaces. (3rd August 2015) Authors: Kroes, Geert-Jan; Díaz, Cristina Journal: Chemical Society reviews Issue: Volume 45:Number 13(2016:Jul.) Page Start: 3658 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗