1. RUA

Search


Current filters:
Start a new search

Add filters:

Use filters to refine the search results.

 | 
Results 1-10 of 123.
Item hits:
Items
AccessPreviewIssue DateTitleAuthor(s)
Restricted accessCPL-535-2012-136.pdf.jpg11-May-2012Extending the applicalibility of the PBE0-DH double-hybrid model to weak interactionsSancho-Garcia, Juan-Carlos
Open accessJCP-136-2012-174703.pdf.jpg2-May-2012Application of double-hybrid density functionals to charge-transfer in N-substituted pentacenequinonesSancho-Garcia, Juan-Carlos
Open access2015_Trouillas_etal_Tetrahedron_final.pdf.jpg20-May-2015Optical properties of wine pigments: theoretical guidelines with new methodological perspectivesTrouillas, Patrick; Di Meo, Florent; Gierschner, Johannes; Linares, Mathieu; Sancho-Garcia, Juan-Carlos; Otyepka, Michal
Open access2017_Moral_etal_JPhysChemC_final.pdf.jpg19-Jan-2017Understanding and Controlling Chemical Modifications of Rubicene for Their Envisioned Use as Molecular Organic SemiconductorsMoral, Mónica; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos
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 access2017_Olivier_etal_JMaterChemC_final.pdf.jpg2017Dynamic nature of excited states of donor–acceptor TADF materials for OLEDs: how theory can reveal structure–property relationshipsOlivier, Yoann; Moral, Mónica; Muccioli, Luca; Sancho-Garcia, Juan-Carlos
Open access2016_Sancho_etal_TheorChemAcc_rev.pdf.jpgJan-2016Describing excited states of [n]cycloparaphenylenes by hybrid and double-hybrid density functionals: from isolated to weakly interacting moleculesSancho-Garcia, Juan-Carlos; Adamo, Carlo; Pérez-Jiménez, Ángel J.
Open access2017_Sancho_etal_JComputChem_final.pdf.jpg30-Jun-2017Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionalsSancho-Garcia, Juan-Carlos; Pérez-Jiménez, Ángel J.; Savarese, Marika; Brémond, Éric; Adamo, Carlo
Open access2016_Bremond_etal_AccChemRes_rev.pdf.jpg5-Aug-2016Nonempirical Double-Hybrid Functionals: An Effective Tool for ChemistsBrémond, Éric; Ciofini, Ilaria; Sancho-Garcia, Juan-Carlos; Adamo, Carlo
Open access2016_Reche_etal_JPhysChemC_rev.pdf.jpg7-Sep-2016Theoretical Determination of Interaction and Cohesive Energies of Weakly Bound Cycloparaphenylene MoleculesReche Tamayo, Manuel; Moral, Mónica; Pérez-Jiménez, Ángel J.; Sancho-Garcia, Juan-Carlos

Discover