Mostrando resultados 1 a 20 de 26
Siguiente >
Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 20-dic-2019 | Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals | Terentjev, Aleksandr V.; Constantin, Lucian A.; Artacho, Emilio; Pitarke, José María CSIC ORCID | artículo |
openAccess | | 2012 | Electrochemical ferroelectric switching: Origin of polarization reversal in ultrathin films | Bristowe, N. C.; Stengel, Massimiliano CSIC ORCID; Littlewood, P. B.; Pruneda, Miguel CSIC ORCID ; Artacho, Emilio | artículo |
openAccess | | 2015 | Electronic stopping power in a narrow band gap semiconductor from first principles | Ullah, Rafi; Corsetti, Fabiano; Sánchez-Portal, Daniel CSIC ORCID ; Artacho, Emilio | artículo |
openAccess | | 2012 | Electronic stopping power in gold: The role of d electrons and the H/He anomaly | Ahsan Zeb, M.; Kohanoff, Jorge; Sánchez-Portal, Daniel CSIC ORCID ; Arnau, Andrés CSIC ORCID; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Artacho, Emilio | artículo |
openAccess | | 2007 | Electronic stopping power in LiF from first principles | Pruneda, Miguel CSIC ORCID ; Sánchez-Portal, Daniel CSIC ORCID ; Arnau, Andrés CSIC ORCID; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Artacho, Emilio | artículo |
closedAccess | | 2013 | Electronic stopping power of H and He in Al and LiF from first principles | Ahsan Zeb, M.; Kohanoff, Jorge; Sánchez-Portal, Daniel CSIC ORCID ; Artacho, Emilio | artículo |
closedAccess | | 2004 | First-principles infrared spectrum of nitric acid and nitric acid monohydrate crystals | Fernández Torre, Delia CSIC; Escribano, Rafael CSIC ORCID; Archer, Tom; Pruneda, Miguel CSIC ORCID ; Artacho, Emilio | artículo |
closedAccess | | 2009 | Heating electrons with ion irradiation: A first-principles approach | Pruneda, Miguel CSIC ORCID ; Sánchez-Portal, Daniel CSIC ORCID ; Arnau, Andrés CSIC ORCID; Juaristi Oliden, Joseba Iñaki CSIC ORCID; Artacho, Emilio | artículo |
closedAccess | | 3-ene-2008 | Ices of CO2/H2O Mixtures. Reflection−Absorption IR Spectroscopy and Theoretical Calculations | Maté, Belén CSIC ORCID; Gálvez, Óscar CSIC ORCID; Martín-Llorente, Beatriz CSIC; Moreno, Miguel Ángel CSIC; Herrero, Víctor J. CSIC ORCID; Escribano, Rafael CSIC ORCID; Artacho, Emilio | artículo |
openAccess | | 12-abr-2023 | Modular implementation of the linear and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals | Lebedeva, Irina CSIC ORCID; García Arribas, Alberto CSIC ORCID; Artacho, Emilio; Ordejón, Pablo CSIC ORCID | artículo |
openAccess | | 9-jul-2018 | Molecular dynamics prediction of near-IR spectra of astrophysical interest | Escribano, Rafael CSIC ORCID; Gómez, Pedro C. CSIC; Maté, Belén CSIC ORCID; Molpeceres, Germán CSIC ORCID; Artacho, Emilio | comunicación de congreso |
openAccess | | 2012 | Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage | Correa, Alfredo A.; Kohanoff, Jorge; Artacho, Emilio; Sánchez-Portal, Daniel CSIC ORCID ; Caro, Alfredo | artículo |
openAccess | | 2023 | Nonlinear electronic stopping of negatively charged particles in liquid water | Koval, Natalia E. CSIC ORCID; Da Pieve, Fabiana; Gu, Bin; Muñoz-Santiburcio, Daniel; Kohanoff, Jorge; Artacho, Emilio | artículo |
openAccess | | 2023 | On-surface synthesis and characterization of a high-spin aza-[5]-triangulene | Vilas-Varela, Manuel; Romero Lara, Francisco; Vegliante, Alessio; Calupitan, Jan Patrick CSIC ORCID; Martínez, Adrián; Meyer, Lorenz; Uriarte-Amiano, Unai; Friedrich, Niklas; Wang, Dongfei; Schulz, Fabian; Koval, Natalia E. CSIC ORCID; Sandoval-Salinas, María E.; Casanova, David; Corso, Martina CSIC ORCID ; Artacho, Emilio; Peña, Diego; Pascual, José I. | artículo |
openAccess | | 8-abr-2019 | Prediction of the near-IR spectra of ices by ab initio molecular dynamics | Escribano, Rafael CSIC ORCID; Gómez, Pedro C. CSIC; Maté, Belén CSIC ORCID; Molpeceres, Germán CSIC ORCID; Artacho, Emilio | artículo |
closedAccess | | 2023 | Real-space observation of ultraconfined in-plane anisotropic acoustic terahertz plasmon polaritons | Chen, Shu; Leng, P. L.; Konečná, Andrea CSIC ORCID; Modin, Evgenii; Gutierrez-Amigo, Martin CSIC ORCID; Vicentini, Edoardo; Martín-García, Beatriz; Barra-Burillo, María; Niehues, Iris; Maciel-Escudero, Carlos CSIC; Xie, X. Y.; Hueso, Luis E.; Artacho, Emilio; Aizpurua, Javier CSIC ORCID ; Errea, Ion CSIC ORCID; Vergniory, Maia G. CSIC ORCID; Chuvilin, Andrey; Xiu, Faxian; Hillenbrand, Rainer | artículo |
closedAccess | | 2000 | Seeing molecular orbitals | Pascual, José I.; Gómez-Herrero, Julio; Rogero, Celia CSIC ORCID; Baró, A. M. CSIC; Sánchez-Portal, Daniel CSIC ORCID ; Artacho, Emilio; Ordejón, Pablo CSIC ORCID; Soler, Josep M. CSIC ORCID | artículo |
closedAccess | | 2022 | Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules | Ortiz de Luzuriaga, Iker; Elleuchi, Sawssen; Jarraya, Khaled; Artacho, Emilio; López, Xabier; Gil, Adrià CSIC ORCID | artículo |
openAccess | | 8-mar-2002 | The SIESTA method for ab initio order-N materials simulation | Soler, Josep M. CSIC ORCID ; Artacho, Emilio; Gale, Julian D.; García Arribas, Alberto CSIC ORCID; Junquera, Javier; Ordejón, Pablo CSIC ORCID; Sánchez-Portal, Daniel CSIC ORCID | artículo |
closedAccess | | 24-ene-2008 | The SIESTA method; developments and applicability | Artacho, Emilio; Anglada, E.; Diéguez, Oswaldo CSIC ORCID; Gale, Julian D.; García Arribas, Alberto CSIC ORCID; Junquera, Javier; Martin, R. M.; Ordejón, Pablo CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Sánchez-Portal, Daniel CSIC ORCID ; Soler, Josep M. CSIC ORCID | artículo |