Publicaciones en la fuente JOURNAL OF PHYSICAL CHEMISTRY B

Tipo Año Título Fuente
Artículo2018Adsorption of Prototypical Asphaltenes on Silica: First-Principles DFT Simulations Including Dispersion CorrectionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2018Nickel Particles Selectively Confined in the Mesoporous Channels of SBA-15 Yielding a Very Stable Catalyst for DRM ReactionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2018On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy StudyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2017Micelle Formation in Aqueous Solutions of Room Temperature Ionic Liquids: A Molecular Dynamics StudyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2014Free Radical Scavenging Properties of Phytofluene and Phytoene Isomers as Compared to Lycopene: A Combined Experimental and Theoretical StudyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2014Understanding the Role of the Cosolvent in the Zeolite Template Function of Imidazolium-Based Ionic LiquidJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2013Edelfosine and Miltefosine Effects on Lipid Raft Properties: Membrane Biophysics in Cell Death by Antitumor LipidsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2013Influence of the Macroring Size on the Self-Association Thermodynamics of Cyclodextrins with a Double-Linked Naphthalene at the Secondary FaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2012Perturbation of the Redox Site Structure of Cytochrome c Variants upon Tyrosine NitrationJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2012Quantum-Mechanical Study on the Aquaions and Hydrolyzed Species of Po(IV), Te(IV), and Bi(III) in WaterJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2012Reorganization of self-assembled dipeptide porphyrin J-aggregates in water-ethanol mixturesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2011Kinetic Analysis of Complex Solid-State Reactions. A New Deconvolution ProcedureJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2010An Ab Initio Molecular Dynamics Study on the Hydrolysis of the Po(IV) Aquaion in WaterJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2010Reaction and Reorganization Free Energies of Electron-Transfer Reactions under Restricted Geometry ConditionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2010Solvent Effects on the Kinetics of the Interaction of 1-Pyrenecarboxaldehyde with Calf Thymus DNAJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2010Study of the Micellization and Micellar Growth in Pure Alkanediyl-alpha-omega-Bis(dodecyldimethylammonium) Bromide and MEGA10 Surfactant Solutions and Their Mixtures. Influence of the Spacer on the Enthalpy Change Accompanying Sphere-to-Rod TransitionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Binding of Ru(NH3)(5)pz(2+) to 4-Sulfocalix[4]arene Sodium Salt. Effects of the Host-Guest Interaction on Electron Transfer ProcessesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Comparison between Ideal and Nonideal Solution Models for Single-Cell Cryopreservation ProtocolsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Cooperative and Noncooperative Binding of *Ru(bpy)(3)(2+) to DNA and SB4.5G DendrimersJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Coupling CP-MD Simulations and X-ray Absorption Spectroscopy: Exploring the Structure of Oxaliplatin in Aqueous SolutionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009General Quantum-Mechanical Study on the Hydrolysis Equilibria for a Tetravalent Aquaion: The Extreme Case of the Po(IV) in WaterJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Kinetic Study of the Cetyltrimethylammonium/DNA InteractionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Liquid-Vapor Coexistence in a Primitive Model for a Room-Temperature Ionic LiquidJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2009Water-ethylene glycol cationic dimeric micellar solutions: aggregation, micellar growth, and characteristics as reaction mediaJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solutionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Carbohydrate-carbohydrate interaction prominence in 3D supramolecular self-assemblyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008DNA-surfactant interactions: A procedure for determination group contributionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Effect of hydrocarbon chain and pH on structural and topographical characteristics of phospholipid monolayersJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Formation of a rotaxane from the end-capping process of a pseudorotaxane. Effects of the solventJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Mixtures of monomeric and dimeric surfactants: Hydrophobic chain length and spacer group length effects on non idealityJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Po(IV) hydration: A quantum chemical studyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Protein dynamics control of electron transfer in photosynthetic reaction centers from Rps. sulfoviridisJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2008Study of the Conformational and Self-Aggregation Properties of 2(I),3(I)-O-(o-Xylylene)-per-O-Me-alpha- and beta-cyclodextrins by Fluorescence and Molecular ModelingJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2007Combined experimental and theoretical approach to the study of structure and dynamics of the most inert aqua ion [Ir(H2O)(6)](3+) in aqueous solutionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2007Direct electron transfer kinetics in horseradish peroxidase electrocatalysisJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2007Molecular dynamics Simulations of Cu(II) and the PHGGGWGQ octapeptideJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2007Protein displacement by monoglyceride at the air-water interface evaluated by surface shear rheology combined with brewster angle microscopyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2007Rigidity and/or flexibility of calixarenes. Effect of the p-sulfonatocalix[n]arenes (n=4, 6, and 8) on the electron transfer process [Ru(NH3)(5)pz](2+)+Co(C2O4)(3)(3-)JOURNAL OF PHYSICAL CHEMISTRY B
Letter2006A coarse-graining approach for the proton complex in protonated aluminosilicatesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Ba adsorption on the stoichiometric and defective TiO2 (110) surface from first-principles calculationsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Discrete breathers for understanding reconstructive mineral processes at low temperaturesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Nb2O5 "pathway effect" on hydrogen sorption in MgJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Penetration of beta-lactoglobulin into monoglyceride monolayers. Dynamics, interactions, and topography of mixed filmsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Salt and solvent effects on the kinetics and thermodynamics of the inclusion of the ruthenium complex [Ru(NH3)(5)(4,4 '-bpy)](2+) in beta-cyclodextrinJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Structural characteristics of dipalmitoylphosphatidylcholine and hydrolysates from sunflower protein isolate mixed monolayers spread at the air-water interfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Structural characterization and oxidative dehydrogenation activity of V2O5/CexZr1-xO2/SiO2 catalystsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006Trimethylamine as a probe molecule to differentiate acid sites in Y-FAU zeolite: FTIR studyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2006V@Au-12(-): An improved novel catalyst for CO oxidation?JOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005"Abnormal" salt and solvent effects on anion/cation electron-transfer reactions: An interpretation based on Marcus-Hush treatmentJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Electroviscous effect of moderately concentrated colloidal suspensions under overlapping conditionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Electroviscous effect of moderately concentrated colloidal suspensions: Stern-layer influenceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Gold nanoparticles with different capping systems: An electronic and structural XAS analysisJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. 2. N-15 and O-17 nuclear shielding in water and in acetoneJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005How to model solvation of peptides? Insights from a quantum-mechanical and molecular dynamics study of N-methylacetamide. 1. Geometries, infrared, and ultraviolet spectra in waterJOURNAL OF PHYSICAL CHEMISTRY B
Letter2005Infrared evidence of three distinct acidic hydroxyls in defect-free HY faujasiteJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Method for the evaluation of the reorganization energy of electron transfer reactions produced under restricted geometry conditionsJOURNAL OF PHYSICAL CHEMISTRY B
Letter2005N2O decomposition on TiO2 (110) from dynamic first-principles calculationsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Parsons-Lee and Monte Carlo study of soft repulsive nematogensJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Strength and character of peptide/anion interactionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Structural characterization of CeO2-ZrO2/TiO2 and V2O5/CeO2-ZrO2/TiO2 mixed oxide catalysts by XRD, Raman spectroscopy, HREM, and other techniquesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Structure and stability of small TiO2 nanoparticlesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005Surface stabilized nanosized CexZr1-xO2 solid solutions over SiO2: Characterization by XRD, Raman, and HREM techniquesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2005XPS study of interface and ligand effects in supported Cu2O and CuO nanometric particlesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2004Density functional theory study of Co, Rh, and Ir atoms deposited on the alpha-Al2O3(0001) surfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2004Formation of surface carbonyl and nitrosyl complexes on titania- and zirconia-supported chromiaJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2004Structural, optical, and photoelectrochemical properties of Mn+-TiO2 model thin film photocatalystsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2004Theoretical study of the adsorption of water on a model soot surface: I. Quantum chemical calculationsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2004Theoretical study of the adsorption of water on a model soot surface: II. Molecular dynamics simulationsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2004Understanding the hydration structure of square-planar aquaions: The [Pd(H2O)(4)](2+) caseJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2003Electroviscous effect of moderately concentrated colloidal suspensionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2003Inherent acidity of aqua metal ions in solids: An assay in layered aluminosilicatesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2003Kinetic analysis of wired enzyme electrodes. Application to horseradish peroxidase entrapped in a redox polymer matrixJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2003Miscibility of amphotericin B-dipalmitoyl phosphatidyl serine mixed monolayers spread on the air/water interfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2003Modeling of copper(II) complexes with the SIBFA polarizable molecular mechanics procedure. Application to a new class of HIV-1 protease inhibitorsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2002Analysis of the opposite solvent effects caused by different solute cavities on the metal-water distance of monoatomic cation hydratesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2002First principles study of Cu atoms deposited on the alpha-Al2O3(0001) surfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2002Interface effects for Cu, CuO, and Cu2O deposited on SiO2 and ZrO2. XPS determination of the valence state of copper in Cu/SiO2 and Cu/ZrO2 catalystsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2002The effect of pyrimidine bases on the hole-transfer coupling in DNAJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2002X-ray photoelectron spectroscopy and infrared study of the nature of Cu species in Cu/ZrO2 de-NOx catalystsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Calculation of the free energy of proton transfer from an aqueous phase to liquid acetonitrileJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Formation and reductive desorption of mercaptohexanol monolayers on mercuryJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Geometry and hydration structure of Pt(II) square planar complexes [Pt(H2O)(4)](2+) and [PtCl4](2-) as studied by X-ray absorption spectroscopies and quantum-mechanical computationsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Influence of spatial redox distribution on the electrochemical behavior of electroactive self-assembled monolayersJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Micellar effects on the kinetics of the oxidation of the excited state of the [Ru(bpy)(3)](2+) complex by S2O82-. A comparison of different approaches for the interpretation of micellar effects on kineticsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Modeling alkali atoms deposition on TiO2 (110) surfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Molecular dynamics simulations of Pd deposition on the alpha-Al(2)O(3) (0001) surfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2001Preferential adsorption from binary mixtures of short chain n-alkanes; The octane-decane systemJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2000Lanthanide doped V2O5/Al2O3 catalysts: Structure-activity relationship in the SCR of NOxJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2000Molecular dynamics simulations of the structure of Pd clusters deposited on the MgO(001) surfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2000Suitability of the Kihara potential to predict molecular spectra of linear polyatomic liquidsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo2000X-ray absorption spectroscopy study of the In-solution structure of Ni2+, Co2+, and Ag+ solvates in acetonitrile including multiple scattering contributionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1999Interactions between betacarboline and benzenoid pi bases: FTIR evidence for the formation of NH-pi hydrogen bondsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1999The short-range structure of aluminophosphate oxynitride catalysts. An ab initio and experimental studyJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1999Theoretical analysis of K adsorption on TiO2(110) rutile surfaceJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Chemical behavior of lithium ions in reexpanded Li-montmorillonitesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Competitive adsorption of simple linear alkane mixtures onto graphiteJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Crystalline monolayer of dodecanoic acid adsorbed on graphite from n-heptane solutionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Dynamics of a highly charged ion in aqueous solutions: MD simulations of dilute CrCl3 aqueous solutions using interaction potentials based on the hydrated ion conceptJOURNAL OF PHYSICAL CHEMISTRY B
Letter1998Electroreduction of nitromethane in aqueous solution. A surface indifferent electrocatalytic reactionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Heterogeneous ECE processes at channel electrodes: Analytical theory. Distinguishing hetero- and homogeneous ECE reactionsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Heterogeneous ECE processes at channel electrodes: Voltammetric waveshape theory. Application to the reduction of nitromethane at platinum electrodesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Mechanistic determination using arrays of variable-sized channel microband electrodes: The oxidation of ascorbic acid in aqueous solutionJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1998Structural analysis of silica-supported tungstatesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1997Characterization of alkali-doped Ni/SiO2 catalystsJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1997Geometric and electronic structure of amorphous aluminophosphates. Ab initio and experimental studiesJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1997Role of ion pairing in double-layer effects at self-assembled monolayers containing a simple redox coupleJOURNAL OF PHYSICAL CHEMISTRY B
Artículo1997Voltammetry under high mass transport conditions. The high-speed channel electrode and transient measurementsJOURNAL OF PHYSICAL CHEMISTRY B