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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
openAccessOscillating spin-density.pdf.jpg2009Oscillating spin-density pattern in gold metallocene and phthalocyanine moleculesCarrascal, Diego CSIC ORCID; Fernández-Seivane, L. CSIC; Ferrer, Jaime CSIC ORCIDartículo
openAccess2023Relativistic magnetic interactions from nonorthogonal basis setsMartínez-Carracedo, Gabriel; Oroszlány, László; García-Fuente, Amador CSIC ORCID; Nyári, Bendegúz; Udvardi, László; Szunyogh, László; Ferrer, Jaime CSIC ORCIDartículo
openAccessGarciaArribas_JChemPhys_2020_postprint.pdf.jpg27-may-2020Siesta: Recent developments and applicationsGarcía Arribas, Alberto CSIC ORCID; Papior, Nick CSIC ORCID; Akhtar, Arsalan CSIC ORCID; Artacho, Emilio; Blum, Volker; Bosoni, Emanuele; Brandimarte, Pedro CSIC ORCID CVN; Brandbyge, Mads; Cerdá, Jorge I. ; Corsetti, Fabiano; Cuadrado, Ramón CSIC ORCID; Dikan, Vladimir; Ferrer, Jaime CSIC ORCID; Gale, Julian D.; García-Fernández, Pablo; García-Suárez, Víctor M. CSIC ORCID ; García, Sandra; Huhs, Georg; Illera, Sergio CSIC; Korytár, Richard CSIC ORCID; Koval, Peter CSIC ORCID; Lebedeva, Irina CSIC ORCID; Lin, Lin; López-Tarifa, Pablo CSIC ORCID; Mayo, Sara G.; Mohr, Stephan; Ordejón, Pablo CSIC ORCID; Postnikov, Andrei; Pouillon, Yann CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Robles, Roberto CSIC ORCID ; Sánchez-Portal, Daniel CSIC ORCID ; Soler, Josep M. CSIC ORCID ; Ullah, Rafi; Yu, Victor Wen-zhe; Junquera, Javierartículo
openAccesssiestappli.pdf.jpg2020SIESTA: Recent developments and applicationsGarcía Arribas, Alberto CSIC ORCID; Papior, Nick CSIC ORCID; Akhtar, Arsalan CSIC ORCID; Artacho, Emilio; Blum, Volker; Bosoni, Emanuele; Brandimarte, Pedro CSIC ORCID CVN; Brandbyge, Mads; Cerdá, Jorge I. ; Corsetti, Fabiano; Cuadrado, Ramón CSIC ORCID; Dikan, Vladimir; Ferrer, Jaime CSIC ORCID; Gale, Julian D.; García-Fernández, Pablo; García-Suárez, Víctor M. CSIC ORCID ; García, Sandra; Huhs, Georg; Illera, Sergio CSIC; Korytár, Richard CSIC ORCID; Koval, Peter CSIC ORCID; Lebedeva, Irina CSIC ORCID; Lin, Lin; López-Tarifa, Pablo CSIC ORCID; Mayo, Sara G.; Mohr, Stephan; Ordejón, Pablo CSIC ORCID; Postnikov, Andrei; Pouillon, Yann CSIC ORCID; Pruneda, Miguel CSIC ORCID ; Robles, Roberto CSIC ORCID ; Sánchez-Portal, Daniel CSIC ORCID ; Soler, Josep M. CSIC ORCID ; Ullah, Rafi; Wen-zhe Yu, Victor; Junquera, Javierartículo
closedAccessaccesoRestringido.pdf.jpg2015Simulation of molecular junctions with bulky metal-molecule contactsFerradás, R. CSIC ORCID; Ferrer, Jaime CSIC ORCID; García-Suárez, Víctor M. CSIC ORCID póster de congreso
openAccessOligoyneBasedMolecular.pdf.jpg2016Solvent dependence of the single molecule conductance of oligoyne-based molecular wiresMilan, David C.; Al-Owaedi, Oday A.; Oerthel, Marie-Christine; Marqués-González, Santiago; Brooke, Richard J.; Bryce, Martin R.; Cea, Pilar CSIC ORCID; Ferrer, Jaime CSIC ORCID; Higgins, Simon J.; Lambert, Colin J.; Low, Paul J.; Manrique, D. Zs.; Martín, Santiago CSIC ORCID; Nichols, Richard J.; Schwarzacher, Walther; García-Suárez, Víctor M. CSIC ORCID artículo
openAccessspinjun.pdf.jpg2022Spin-crossover in supramolecular iron(II)–2,6-bis(1H-pyrazol-1-yl)pyridine complexes: Toward spin-state switchable single-molecule junctionsKumar Kuppusamy, Senthil; Mizuto, Asano; García-Fuente, Amador CSIC ORCID; Poel, Sebastiaan van der; Heinrich, Benoît; Ferrer, Jaime CSIC ORCID; Zant, Herre S. J. van der; Ruben, Marioartículo
openAccessSpin-StateSwitching.pdf.jpg2018Spin-state dependent conductance switching in single molecule-graphene junctionsBurzurí, Enrique CSIC ORCID; García-Fuente, Amador CSIC ORCID; García-Suárez, Víctor M. CSIC ORCID ; Senthil Kumar, Kuppusamy; Ruben, Mario; Ferrer, Jaime CSIC ORCID; Zant, Herre S. J. van derartículo
openAccessmonochalcogenide.pdf.jpg2016Structural phase transition and material properties of few-layer monochalcogenidesMehboudi, Mehrshad; Fregoso, Benjamin M.; Yang, Yurong; Zhu, Wenjuan; Zande, Arend van der; Ferrer, Jaime CSIC ORCID; Bellaiche, L.; Kumar, Pradeep; Barraza-López, Salvadorartículo
openAccessstrucnanori.pdf.jpg2010Structural, magnetic, and electronic properties of Nin and Fen nanostructures (n=1–4) adsorbed on zigzag graphene nanoribbonsLongo, R. C.; Carrete, Jesús CSIC ORCID; Ferrer, Jaime CSIC ORCID; Gallego, Luis J.artículo
openAccessStructure and electronic.pdf.jpg2011Structure and electronic properties of molybdenum monatomic wires encapsulated in carbon nanotubesGarcía-Fuente, Amador CSIC ORCID; García-Suárez, Víctor M. CSIC ORCID ; Ferrer, Jaime CSIC ORCID; Vega, Andrésartículo
openAccesssupp_material.pdf.jpg2023Supplemental Material for Electrically driven singlet-triplet transition in graphene triangulene spin-1 chainsMartínez-Carracedo, Gabriel; Oroszlány, László; García-Fuente, Amador CSIC ORCID; Szunyogh, László; Ferrer, Jaime CSIC ORCIDdataset
openAccessao1c07217_si_001.pdf.jpg2022Supporting Information - Spin-crossover in supramolecular iron(II)–2,6-bis(1H-pyrazol-1-yl)pyridine complexes: Toward spin-state switchable single-molecule junctionsKumar Kuppusamy, Senthil; Mizuto, Asano; García-Fuente, Amador CSIC ORCID; Poel, Sebastiaan van der; Heinrich, Benoît; Ferrer, Jaime CSIC ORCID; Zant, Herre S. J. van der; Ruben, Mariodataset
openAccessmetalloporphyrin wires.pdf.jpg2013Symmetry-induced quantum interference effects in metalloporphyrin wiresFerradás, R. CSIC ORCID; García-Suárez, Víctor M. CSIC ORCID ; Ferrer, Jaime CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2016Synthesis and single-molecule conductance study of redox-active ruthenium complexes with pyridyl and dihydrobenzo [b] thiophene anchoring groupsOzawa, Hiroaki; Baghernejad, Masoud; Al-Owaedi, Oday A.; Kaliginedi, Veerabhadrarao; Nagashima, Takumi; Ferrer, Jaime CSIC ORCID; Wandlowski, Thomas; García-Suárez, Víctor M. CSIC ORCID ; Broekmann, Peter; Lambert, Colin J.; Haga, Masa-akiartículo
openAccessDFT calculations.pdf.jpg2015Systematic pseudopotentials from reference eigenvalue sets for DFT calculationsRivero, Pablo; García-Suárez, Víctor M. CSIC ORCID ; Park, Kyungwha; Ferrer, Jaime CSIC ORCID; Barraza-López, Salvadorartículo
closedAccessaccesoRestringido.pdf.jpg2015The Hubbard dimer: a complete DFT solution to a many-body problemCarrascal, Diego CSIC ORCID; Smith, Justin; Ferrer, Jaime CSIC ORCID; Burke, Kieroncomunicación de congreso
openAccessHubbardDimer.pdf.jpg2015The Hubbard dimer: a density functional case study of a many-body problemCarrascal, Diego CSIC ORCID; Ferrer, Jaime CSIC ORCID; Smith, Justin; Burke, Kieronartículo
closedAccessaccesoRestringido.pdf.jpg2017The Hubbard dimer: exact dynamic exchange-correlation kernel, single and double excitations of a strongly correlated problemFerrer, Jaime CSIC ORCID; Carrascal, Diego CSIC ORCID; Maitra, Neepa; Burke, Kieroncomunicación de congreso
openAccessthermoarchi.pdf.jpg2017Thermoelectricity in vertical graphene-C60-graphene architecturesWu, Qingqing; Sadeghi, Hatef; García-Suárez, Víctor M. CSIC ORCID ; Ferrer, Jaime CSIC ORCID; Lambert, Colin J.artículo