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AccessPreviewIssue DateTitleAuthor(s)
Open access2018_Perez-Guardiola_etal_PCCP_final.pdf.jpg8-Feb-2018The role of topology in organic molecules: origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomersPérez-Guardiola, Andrés; Sandoval-Salinas, María Eugenia; Casanova, David; San-Fabián, Emilio; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos
Open access2013-XI-Jornadas-Redes-05.pdf.jpg2013Trabajo de coordinación para la implementación del cuarto curso del Grado en QuímicaIllán-Gómez, María José; Alcañiz-Monge, Juan; Bru-Martinez, Roque; Camacho, Mónica; Cazorla-Amorós, Diego; Chinchilla, Rafael; Feliu, Juan M.; Fernandez-Torres, Maria J.; Gras, Luis; Guijarro, David; Juárez Sanz, Margarita; Moltó Berenguer, Julia; Mora, Juan; Ramón, Diego J.; San-Fabián, Emilio; Silvestre-Albero, Joaquín; Todolí Torró, José Luis
Open access2016_Guijarro_etal_ChemPhysChem_preprint.pdf.jpg4-Nov-2016Herringbone Pattern and CH–π Bonding in the Crystal Architecture of Linear Polycyclic Aromatic HydrocarbonsGuijarro, Albert; Vergés Brotons, José Antonio; San-Fabián, Emilio; Chiappe, Guillermo; Louis, Enrique
Open access2016_Moral_etal_JPhysChemC_rev.pdf.jpg7-Sep-2016Theoretical Study of Cyclic Pyrene Oligomers and Their Resemblance with Cyclic Paraphenylenes: Disclosing Structure–Property Relationships for Cyclic NanoringsMoral, Mónica; Pérez-Guardiola, Andrés; San-Fabián, Emilio; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos
Open access2016_Garcia-Aguilar_etal_JCatalysis_final.pdf.jpgJun-2016One step-synthesis of highly dispersed iron species into silica for propylene epoxidation with dioxygenGarcía Aguilar, Jaime; Miguel García, Izaskun; Juan Juan, Jerónimo; Such-Basañez, Ion; San-Fabián, Emilio; Cazorla-Amorós, Diego; Berenguer-Murcia, Ángel
Open access2016_Ferrer_San-Fabian_TheorChemAcc_final.pdf.jpgSep-2016Competition for water between protein (from Haloferax mediterranei) and cations Na+ and K+: a quantum approach to problemFerrer Casanova, Juan; San-Fabián, Emilio
Open access2017_Hernandez_etal_TheorChemAcc_final.pdf.jpgJul-2017The application of TD-DFT to excited states of a family of TPD molecules interesting for optoelectronic useHernández-Verdugo, Elisa; Sancho-Garcia, Juan-Carlos; San-Fabián, Emilio
Restricted access2014_San-Fabian_etal_JCTC_final.pdf.jpg17-Oct-2014Improvements in DFT Calculations of Spin–Spin Coupling ConstantsSan Fabián Maroto, Jesús; García de la Vega, José Manuel; San-Fabián, Emilio
Open access2012_PhysRevB.85.165102.pdf.jpg2-Apr-2012Spin alignment of extra electrons in K-phenanthrene clusters taken from the crystalline tripotassium-intercalated phenanthrene structureVergés Brotons, José Antonio; Andres, Pedro L. de; San-Fabián, Emilio; Chiappe, Guillermo; Louis, Enrique; Guijarro, Albert
Open access2014_San-Fabian_etal_ChemicalPhysicsLetters.pdf.jpg4-Apr-2014Theoretical insights on electron donor-acceptor interactions involving carbon dioxideSan-Fabián, Emilio; Ingrosso, Francesca; Lambert, Alexandrine; Bernal-Uruchurtu, Margarita I.; Ruiz-López, Manuel F.

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