| Artículo | 2024 | Application of the symmetric Poisson-Boltzmann theory to a model colloidal mixture. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2024 | Structural and electronic properties of Li-adsorbed single and bilayer porphyrin sheets as an electrode material for energy storage devices - a DFT analysis. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2023 | First-principles based Monte Carlo modeling of the magnetization of oxygen-deficient Fe-substituted SrTiO3 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2023 | How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces? | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2023 | Origin of anomalously stabilizing ice layers on methane gas hydrates near rock surface. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2022 | Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface models | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2022 | Unveiling the role of pyrylium frameworks on pi-stacking interactions: a combined ab initio and experimental study | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2021 | Conformation-changing enzymes and macromolecular crowding | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2021 | Heat transport and surface functionalization in nanocomposites of boron nitride nanotubes and polyethylene. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2021 | Impact of the solvent composition on the structural and mechanical properties of customizable electrospun poly(vinylpyrrolidone) fiber mats | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2020 | Analysis of the electronic delocalization in some isoelectronic analogues of B-12 doped with beryllium and/or carbon | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2020 | Premelting of ice adsorbed on a rock surface | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2020 | Taming quantum interference in single molecule junctions: induction and resonance are key | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2019 | A comprehensive study of the molecular vibrations in solid-state benzylic amide [2]catenane | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2019 | An excess electron at polyethylene/vacuum interfaces using a reaction-field technique | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2019 | Brownian dynamics assessment of enhanced diffusion exhibited by 'fluctuating-dumbbell enzymes' | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Corrección | 2019 | Erratum: Correction: Limestone calcination under calcium-looping conditions for CO2 capture and thermochemical energy storage in the presence of H2O: an in situ XRD analysis (Physical chemistry chemical physics : PCCP (2017) 19 11 (7587-7596)) | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2019 | Persistent energy transfer in ZGO:Cr3+,Yb3+: a new strategy to design nano glass-ceramics featuring deep red and near infrared persistent luminescence | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2019 | Unexpected chalcogen bonds in tetravalent sulfur compounds | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2019 | What controls the unusual melting profiles of small AuNPs/DNA complexes | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Ab initio electronic structure calculations of entire blue copper azurins | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2-Y2O3: an example of catalyst design | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Revealing at the molecular level the role of the surfactant in the enhancement of the thermal properties of the gold nanofluid system used for concentrating solar power | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Reversible DNA compaction induced by partial intercalation of 16-Ph-16 gemini surfactants: evidence of triple helix formation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Substrate-induced enhancement of the chemical reactivity in metal-supported graphene | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Supramolecular interaction of non-racemic benzimidazolium based ion pairs with chiral substrates | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | The excess electron at polyethylene interfaces | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2018 | Unveiling the atomistic mechanisms for oxygen intercalation in a strongly interacting graphene-metal interface | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Characterization of secondary phosphine oxide ligands on the surface of iridium nanoparticles | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Effects of the capping ligands, linkers and oxide surface on the electron injection mechanism of copper sulfide quantum dot-sensitized solar cells | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Limestone calcination under calcium-looping conditions for CO2 capture and thermochemical energy storage in the presence of H2O: An in situ XRD analysis | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Quantification of nucleobases/gold nanoparticles interactions: energetics of the interactions through apparent binding constants determination | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Reline aqueous solutions behaving as liquid mixtures of H-bonded co-solvents: microphase segregation and formation of co-continuous structures as indicated by Brillouin and H-1 NMR spectroscopies | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Two different critical regimes enclosed in the Bean-Rodbell model and their implications for the field dependence and universal scaling of the magnetocaloric effect | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2017 | Understanding and improving aggregated gold nanoparticle/dsDNA interactions by molecular spectroscopy and deconvolution methods | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | Combined TGA-MS kinetic analysis of multistep processes. Thermal decomposition and ceramification of polysilazane and polysiloxane preceramic polymers | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | Effect of dolomite decomposition under CO2 on its multicycle CO2 capture behaviour under calcium looping conditions | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | Effects of the acceptor unit in dyes with acceptor-bridge-donor architecture on the electron photo-injection mechanism and aggregation in DSSCs | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | Highly efficient perturbative plus variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(II) site of multicopper oxidases | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | Specific cation interactions as the cause of slow dynamics and hysteresis in dye and perovskite solar cells: a small-perturbation study | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2016 | The interaction between hybrid organic-inorganic halide perovskite and selective contacts in perovskite solar cells: an infrared spectroscopy study | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | Crystallographic transformation of limestone during calcination under CO<inf>2</inf> | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | Electronic structure aspects of the complete O-2 transfer reaction between Ni(II) and Mn(II) complexes with cyclam ligands | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | Interaction of gold nanoparticles mediated by captopril and S-nitrosocaptopril: the effect of manganese ions in mild acid medium | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | On the nature of hydrogen bonds to platinum(II) - which interaction can predict their strength? | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | Revealing the role of Pb2+ in the stability of organic-inorganic hybrid perovskite CH3NH3Pb1-xCdxI3: an experimental and theoretical study | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | Thermal decomposition of dolomite under CO2: insights from TGA and in situ XRD analysis | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2015 | When ruthenia met titania: achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2014 | Electronically tunable anion-pi interactions in pyrylium complexes: experimental and theoretical studies | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2014 | Experimental and theoretical study of the electronic properties of Cu-doped anatase TiO2 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2013 | CO2 multicyclic capture of pretreated/doped CaO in the Ca-looping process. Theory and experiments | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2013 | Gold(III) stabilized over ionic liquids grafted on MCM-41 for highly efficient three-component coupling reactions | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2013 | Improving the understanding of DNA-propanediyl-1,3-bis(dodecyldimethylammonium) dibromide interaction using thermodynamic, structural and kinetic approaches | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2013 | Spectroscopic properties of electrochemically populated electronic states in nanostructured TiO2 films: anatase versus rutile | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2012 | Coumarin derivatives for dye sensitized solar cells: a TD-DFT study | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2012 | Electronic excitations of C-60 aggregates | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | A kinetic study of the interaction of DNA with gold nanoparticles: mechanistic aspects of the interaction | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | Comparing the peroxo/superoxo nature of the interaction between molecular O-2 and beta-diketiminato-copper and nickel complexes | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | Electronic structure and optical spectra of catechol on TiO2 nanoparticles from real time TD-DFT simulations | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | Improving the gas-solids contact efficiency in a fluidized bed of CO2 adsorbent fine particles | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | Nitrogen/gold codoping of the TiO2(101) anatase surface. A theoretical study based on DFT calculations | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | Rhodamine 6G and 800 J-heteroaggregates with enhanced acceptor luminescence (HEAL) adsorbed in transparent SiO2 GLAD thin films | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2011 | The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2010 | A theoretical study of the hydrogen bond donor capability and co-operative effects in the hydrogen bond complexes of the diaza-aromatic betacarbolines | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2010 | Analysis of complexity measures and information planes of selected molecules in position and momentum spaces | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2010 | Probing interfacial solvation of incipient self-assembled monolayers | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2010 | Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2009 | Electronic charge transfer between ceria surfaces and gold adatoms: a GGA plus U investigation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2009 | Gated electron transfer of cytochrome c(6) at biomimetic interfaces: a time-resolved SERR study | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2008 | Structural effects of Cu(II)-coordination in the octapeptide region of the human prion protein | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2005 | 2,6-Dimethylpyridine as a probe of the strength of Bronsted acid sites: study on zeolites. Application to alumina | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2003 | Creep of (La0.55Sr0.45)(0.99)Mn1-yGayO3 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2002 | The crystalline structures of the even alkanes hexane, octane, decane, dodecane and tetradecane monolayers adsorbed on graphite at submonolayer coverages and from the liquid | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2002 | The crystalline structures of the odd alkanes pentane, heptane, nonane, undecane, tridecane and pentadecane monolayers adsorbed on graphite at submonolayer coverages and from the liquid | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2001 | Adsorption behaviour of the binary mixtures of octane and nonane at sub-monolayer coverage on graphite | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2001 | CeO2-La2O3 catalytic system - Part II. Acid-base properties and catalytic activity for 4-methylpentan-2-ol dehydration | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2001 | Effect of DNA on the rate of electron transfer reactions between non-intercalated reactants: kinetic study of the reactions [Ru(NH3)(5)pz](2+)+[Co(C2O4)(3)](3-) and [Ru(NH3)(5)py](2+)+[Co(NH3)(4)pzCO(2)](2+) in aqueous solutions in the presence of DNA | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2001 | Experimental and simulation studies of the electron transfer reaction between [Ru(NH3)(5)pz](2+) and [Co(C2O4)(3)](3-) | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2000 | CeO2-La2O3 catalytic system. Part I. Preparation and characterisation of catalysts | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2000 | Clinoptilolite-heulandite polymorphism: Structural features from computer simulation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 2000 | Ground and singlet excited state hydrogen bonding interactions of betacarbolines | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 1999 | "In situ" DRIFTS study of the SCR reaction of NO with ammonia over a high loading (15% weight) vanadia-titania catalyst | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 1999 | Anomalous behaviour of pentane adsorbed at the graphite/liquid interface | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 1999 | Phase equilibria of a lattice model of associating binary mixtures | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Artículo | 1999 | The investigation of mixed monolayers adsorbed from solution: octane and nonane mixtures on graphite | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
