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JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Rivista
Codice:
E185404
ISSN:
1520-6106
Dati Generali
Dati Generali
Pubblicazioni (51)
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Absence of long-range magnetic order in the La1.4Sr0.8Ca0.8Mn2O7 bilayered manganite
Articolo
All-atom folding simulations of the villin headpiece from stochastically selected coarse-grained structures
Articolo
An Experimental and Theoretical Investigation of Loperamide Hydrochloride-Glutaric Acid Co-Crystals.
Articolo
Cation distribution in LiMgVO4 and LiZnVO4: structural and spectroscopic study
Articolo
Combustion Modes and Reaction Paths of the Self-Sustained High-Temperature Synthesis of Intermetallic Compounds: A Computer Simulation Study of the Effect of Exothermicity
Articolo
Diffusion-controlled solid state reactions of spherical particles. A general model for multiphase binary systems
Articolo
Disproportionation, dopant incorporation, and defect clustering in perovskite-structured NdCoO3
Articolo
Dogmas and Misconceptions in Heterogeneous Photocatalysis. Some Enlightened Reflections.
Articolo
Doping dependence of the electronic structure of La1-xNaxMnO3 by resonant X-ray emission and X-ray absorption spectroscopy
Articolo
Doping effects in single-layered La0.5Sr1.5MnO4 manganite
Articolo
Dynamic Nuclear Polarization of β-Cyclodextrin Macromolecules
Articolo
ESTIMATION OF DEPROTONATION COEFFICIENTS FOR CHELATING ION EXCHANGE RESINS. COMPARISON OF DIFFERENT THERMODYNAMIC MODEL
Articolo
Effect of Surface Photoreactions on the Photocoloration of a Wide Band Gap Metal Oxide: Probing Whether Surface Reactions Are Photocatalytic
Articolo
Electronic excitations in synthetic eumelanin aggregates probed by soft X-ray spectroscopies
Articolo
Experimental and MD simulation study of CaO-ZeO2-SiO2 glasses
Articolo
Exploring Mutation-Driven Changes in the ATP-ADP Conformational Cycle of Human Hsp70 by All-Atom MD Adaptive Sampling
Articolo
Fast Precipitation Pattern Formation in a Metallic Two-Component Dissolution-Reaction Process
Articolo
Fractal nanochannels as the basis of the ionic transport in AgI-based glasses
Articolo
Hybrid materials for solid state dye laser applications
Articolo
Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions
Articolo
Incorporation of Trivalent Cations in Synthetic Garnets A3B5O12 (A=Y,Lu-La, B=Al,Fe,Ga)
Articolo
Inhibition of Jahn-Teller cooperative distortion in LiMn2O4 spinel by Ga3+ doping
Articolo
Inhibition of Jahn-Teller cooperative distortion in LiMn2O4 spinel by Ga3+ doping.
Articolo
Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody-Antigen Complexes
Articolo
Is the Band Gap of Pristine TiO2 Narrowed by Anion- and Cation-Doping of Titanium Dioxide in Second-Generation Photocatalysts?
Articolo
Lattice Disorder, Electric Properties, and Magnetic Behavior of La1-xNaxMnO3+d Manganites.
Articolo
Lattice Disorder, Electric Properties, and Magnetic Behavior of La1-xNaxMnO3+delta Manganites
Articolo
Local structure and electronic properties of the rhombohedral and orthorhombic colossally magnetoresistive manganites La1-xNaxMnO3 by mn-k edge EXAFS and XANES
Articolo
Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1
Articolo
Mechanism of helix nucleation and propagation: Microscopic view from microsecond time scale MD simulations
Articolo
Mechanochemical Synthesis of Bumetanide–4-Aminobenzoic Acid Molecular Cocrystals: A Facile and Green Approach to Drug Optimization
Articolo
Melting of Orbital Ordering in KMgxCu1-xF3 Solid Solution
Articolo
Modeling and experimental examination of the solonitsyn memory effect on the surface of wide bandgap metal oxides
Articolo
Molecular Dynamics and Hyperpolarization Performance of Deuterated β-Cyclodextrins
Articolo
Oxygen Chemical Diffusion Coefficient in Manganite Thin Films by Isothermal Electric Resistivity Measurements
Articolo
Probing the TiO2 Photocatalytic Mechanisms in Water Purification by Use of Quinoline, Photo-Fenton Generated OH• Radicals and Superoxide Dismutase
Articolo
Proton and Carbon-13 Dynamic Nuclear Polarization of Methylated β-Cyclodextrins
Articolo
Qualitative and quantitative structure-property relationships (QSPR) analysis of multicomponent potential bioglasses
Articolo
Reactive growth of tantalum silicides in Ta-Si diffusion couples.
Articolo
Role of Terahertz (THz) Fluctuations in the Allosteric Properties of the PDZ Domains
Articolo
Self-propagating High-temperature synthesis of intermetallic compounds: a computer simulation approach to the chemical mechanism
Articolo
Simulating the Favorable Aggregation of Monolacunary Keggin Anions
Articolo
Simulation Study of Wave Propagation Instabilities for the Combustion Synthesis of Transition Metals Aluminides
Articolo
Simulation of heme using DFT + U: a step toward accurate spin-state energetics
Articolo
Sodium-doped LaMnO3 thin films: Influence of substrate and thickness on physical properties
Articolo
Solute Effects on Spin Labels at an Aqueous-Exposed Site in the Flap Region of HIV-1 Protease.
Articolo
Structural Properties of Polyglutamine Aggregates Investigated via Molecular Dynamics Simulations
Articolo
Structural and spectroscopic properties of pure and doped Ba6Ti2Nb8O30 tungsten bronze
Articolo
Structure and transport properties of PEO-Li2O:3B2O3 mixed-phase composites
Articolo
Transport and structural properties of pure and Cr doped Li3VO4
Articolo
Visible Light Absorption by Various Titanium Dioxide Specimens
Articolo
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