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THE JOURNAL OF CHEMICAL PHYSICS

Rivista

Codice:

E090899

ISSN:

0021-9606

Dati Generali

Dati Generali

Pubblicazioni (175)

Ordina Pubblicazioni:

ascendente
decrescente

A Gibbs ensemble Monte Carlo study of phase coexistence in model C-60

Articolo

A SMALL-ANGLE NEUTRON-SCATTERING STUDY OF 2-BUTOXYETHANOL/D2O SOLUTIONS

Articolo

A comprehensive study of the phase diagram of symmetrical hard- core Yukawa mixtures

Articolo

A density functional theory and simulation study of stripe phases in symmetric colloidal mixtures

Articolo

A density-functional theory study of vapor, liquid, and mesophases in a symmetric, hard-sphere mixture with cross attraction at non-equimolar concentrations

Articolo

A dielectric continuum molecular dynamics method

Articolo

A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation

Articolo

A maximum-entropy approach to the adiabatic freezing of a supercooled liquid

Articolo

A molecular dynamics study of impurity desorption from solid clusters of rigid C60 molecules

Articolo

A semianalytical “reverse” approach to link structure and microscopic interactions in two-Yukawa competing fluids

Articolo

A theoretical study of structure and thermodynamics of fluids with long-range competing interactions exhibiting pattern formation

Articolo

ANALYTICAL SOLUTION OF A NEW INTEGRAL-EQUATION FOR TRIPLET CORRELATIONS IN HARD-SPHERE FLUIDS

Articolo

Adiabatic bias molecular dynamics: a method to navigatethe conformational space of complex molecular systems

Articolo

An Improved Closure For the Born-green-yvon Equation For the Electric Double-layer

Articolo

Analytic solution of two-density integral equations for sticky Janus dumbbells with arbitrary monomer diameters

Articolo

Anomalous cryoprotective effectiveness of trehalose: Raman scattering evidences

Articolo

Anomalous melting behavior under extreme conditions: Hard matter turning "soft"

Articolo

Anomalous phase behavior in a model fluid with only one type of local structure

Articolo

Arrested states in colloidal fluids with competing interactions: A static replica study

Articolo

Atomistic molecular dynamics simulations of model C-36 fullerite

Articolo

Burn-green-yvon (bgy) Equation For the Electric Double-layer In the Dilute-solution Regime - A Nonlocal Closure

Articolo

Characterization of Molecular Motions in Biomolecular Systems by Elastic Incoherent Neutron Scattering

Articolo

Charge carrier interactions in ionic conductors: A classicalmolecular-dynamics and Monte Carlo study on AgI

Articolo

Comment on "Residual multiparticle entropy does not generally change sign near freezing" [J. Chem. Phys. 128, 161101 (2008)]

Articolo

Communication: Phase diagram of C36 by atomistic molecular dynamics and thermodynamic integration through coexistence regions

Articolo

Communication: thermodynamic signatures of cluster formation in fluids with competing interactions

Articolo

Cooperative polymerization of one-patch colloids

Articolo

DEMIXING AND MIXING OF BINARY HARD-CORE YUKAWA MIXTURES

Articolo

DEPOLARIZED RAMAN SCATTERING IN NORMAL AND SUPERCOOLED ANTIMONY TRICHLORIDE

Articolo

DIPOLAR HOST/GUEST INTERACTIONS AND GEOMETRICAL CONFINEMENT AT THE BASIS OF THE STABILITY OF ONE DIMENSIONAL ICE IN ZEOLITE BIKITAITE

Articolo

DYNAMICS OF CRYSTALLINE ACETANILIDE - ANALYSIS USING NEUTRON- SCATTERING AND COMPUTER-SIMULATION

Articolo

Density functional and Monte Carlo studies of sulfur. I. Structure and bonding in S[sub n] rings and chains (n=2-18)

Articolo

Density functional and Monte Carlo studies of sulfur. II. Equilibrium polymerization of the liquid phase

Articolo

Density functional study of carbonic acid clusters

Articolo

Density functional theory study of mesophase formation in model lipid systems

Articolo

Diffusive Dynamics of H-Bonded Liquids confined In porous silica Gels by Rayleigh wing spectroscopy

Articolo

Diffusive relaxation processes and low-frequency dynamical properties in bulk and confined ethylene glycol by neutron spectroscopy

Articolo

Does water need a lambda-type transition?

Articolo

Dynamic evidence of chemical and physical traps in H-bonded confined liquids

Articolo

Dynamic shear modulus of glycerol: Corrections due to instrument compliance

Articolo

Dynamical properties of water-methanol solutions

Articolo

Dynamics of glass-forming liquids. VIII. Dielectric signature of probe rotation and bulk dynamics in branched alkanes

Articolo

Dynamics of glass-forming liquids. XII. Dielectric study of primary and secondary relaxations in ethylcyclohexane

Articolo

Dynamics of glassy and liquid m-toluidine investigated by high-resolution dielectric spectroscopy

Articolo

Effect of H-bond active sites on transport properties of poly(ethylene oxide) dissolved in its monomers: Shear viscosity and diffusion coefficient studies

Articolo

Effect of the monomer structure on the dynamics of semidilute polyalkylmethacrylate solutions: A quasielastic light and neutron scattering investigation

Articolo

Effective interactions in lysozyme aqueous solutions: A small-angle neutron scattering and computer simulation study

Articolo

Effective protein-protein interaction from structure factor data of a lysozyme solution

Articolo

Elastic incoherent neutron scattering from homologous disaccharides/H2O mixtures

Articolo

Electric-field induced entropic effects in liquid water

Articolo

Emerging dynamics in surfactant-based liquid mixtures: Octanoic acid∕bis(2-ethylhexyl) amine systems

Articolo

Entropy, correlations, and ordering in two dimensions

Articolo

Equilibrium Properties of Charged hard Spheres of Different Diameters in the Electrolyte Solution Regime; Monte Carlo and Integral Equation Results

Articolo

Equilibrium polymerization of cyclic carbonate oligomers II: Role of multiple active sites

Articolo

Equilibrium polymerization of cyclic carbonate oligomers

Articolo

Equilibrium polymerization of cyclic carbonateoligomers III: Chain branching and the gel transition

Articolo

Equilibrium properties of charged hard spheres of different diameters in the electrolyte solution regime: Monte Carlo and integral equation results

Articolo

Erratum: “Thermodynamic properties of bulk and confined water” [J. Chem. Phys. 141, 18C504 (2014)]

Altro Prodotto di Ricerca

Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles

Articolo

Experimental simulation of macromolecules in trehalose aqueous solutions: A photon correlation spectroscopy study

Articolo

Fragility by Elastic Incoherent Neutron Scattering

Articolo

Free energy determination of phase coexistence in model C-60: A comprehensive Monte Carlo study

Articolo

Hexatic phase and cluster crystals of two-dimensional GEM4 spheres

Articolo

Hexatic phase and water-like anomalies in a two-dimensional fluid of particles with a weakly softened core

Articolo

Hydration and transport properties of aqueous solutions of alpha-alpha-trehalose

Articolo

Hydrogen bonding and collective proton modes in clusters and periodic layers of squaric acid: A density functional study

Articolo

IONIC PAIRING IN BINARY LIQUIDS OF CHARGED HARD-SPHERES WITH NONADDITIVE DIAMETERS

Articolo

Intra-protein interacting collective modes in the terahertz frequency region

Articolo

Ionic Radii and Diffraction Patterns of Molten Alkali-Halides

Articolo

Kinetics of phase transformations in a model with metastable fluid-fluid separation: A molecular dynamics study

Articolo

Liquid methanol under a static electric field

Articolo

Liquid-solid coexistence via the metadynamics approach

Articolo

Locally heterogeneous dynamics in miscible blends of poly(methyl methacrylate) and poly(vinylidene fluoride)

Articolo

Low-temperature excess specific heat and fragility in polymers: Crystallinity dependence

Articolo

MSA and GMSA for charged hard spheres of different diameters: Comparison with RHNC and MC calculations

Articolo

Microscopic theories of model macromolecular fluids and fullerenes: The role of thermodynamic consistency

Articolo

Modified hypernetted chain approximation for a two component charged hard sphere system

Articolo

Modified hypernetted chain approximation for a two component charged hard sphere system

Articolo

Monte Carlo simulation and integral equation study of Hertzian spheres in the low-temperature regime

Articolo

Monte Carlo simulation and phase behavior of nonadditive hard- core mixtures in two dimensions

Articolo

Multi-component modeling of quasielastic neutron scattering from phospholipid membranes

Articolo

NMR spectroscopy study of local correlations in water

Articolo

Observation of high-temperature dynamic crossover in protein hydration water and its relation to reversible denaturation of lysozyme

Articolo

On the application of Flory-Huggins and integral equation theories to asymmetric hard sphere mixtures

Articolo

On the determination of phase boundaries via thermodynamic integration across coexistence regions

Articolo

Onset of Stripe Order in Classical Fluids: Lessons from Lattice-Gas Mixtures

Articolo

PAIR CORRELATIONS AT AN ELECTRIFIED INTERFACE

Articolo

PAIR CORRELATIONS NEAR A HARD-WALL - AN ANALYTICAL THEORY

Articolo

PHASE INSTABILITIES IN CHARGED HARD-SPHERE MIXTURES .1. BINARY- MIXTURES OF SALT AND HARD-SPHERES

Articolo

PHASE INSTABILITIES IN CHARGED HARD-SPHERE MIXTURES .2. BINARY- MIXTURES OF SALTS

Articolo

PHASE-EQUILIBRIA IN SIMPLE FLUID MIXTURES

Articolo

PHASE-STABILITY OF A SIMPLE FLUID MODEL MIXTURE

Articolo

PHASE-STABILITY OF DENSE MULTICOMPONENT CHARGED AND UNCHARGED HARD-SPHERE FLUID MIXTURES

Articolo

POWER LAW FREQUENCY-DEPENDENT DIELECTRIC FUNCTION AND NONANALYTICITY PROPERTIES

Articolo

Phase diagram of Gaussian-core nematics

Articolo

Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law potentials

Articolo

Phase stability of dense charged hard sphere fluid mixtures

Articolo

Phase-stability of Dense Charged Hard-sphere Fluid Mixtures

Articolo

Phase-stability of Multicomponent Highly Asymmetric Electrolytes - A Charged Hard-sphere Model Study

Articolo

Photo-driven water oxidation performed by supramolecular photocatalysts made of Ru(II) photosensitizers and catalysts

Articolo

Polymorphism in simple liquids: A Gibbs ensemble Monte Carlo study

Articolo

Probing the molecular connectivity of water confined in polymer hydrogels

Articolo

Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

Articolo

Quantum-classical dynamics of wave fields

Articolo

Quasi Elastic Neutron Scattering from Trehalose Aqueous Solutions

Articolo

RAMAN SCATTERING AND STRUCTURE OF NORMAL AND SUPERCOOLED WATER

Articolo

RAMAN SPECTROSCOPY AND LOCAL ORDER IN AQUEOUS SOLUTIONS OF STRONG II-I ELECTROLYTES

Articolo

Raman scattering and structure of normal and supercooled water

Articolo

Raman scattering in lysozyme solutions

Articolo

Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol

Articolo

Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol (vol 127, art no 224501, 2007)

Altro Prodotto di Ricerca

Reference interaction site model and optimized perturbation theories of colloidal dumbbells with increasing anisotropy

Articolo

Reference interaction site model investigation of homonuclear hard dumbbells under simple fluid theory closures: Comparison with Monte Carlo simulations

Articolo

Relaxation dynamics of H-bonded liquids confined in porous silica gels by Rayleigh wing spectroscopy

Articolo

Response to "Comment on 'The alpha-relaxation process in simple glass forming liquid m-toluidine. II. The temperature dependence of the mechanical response' " [J. Chem. Phys. 116, 7323 (2002)]

Articolo

Role of H bond and cooperative effects in normal and supercooled water studied by anisotropic low frequency light scattering

Articolo

Role of H-bond and cooperative effects in normal and supercooled water studied by anisotropic low frequency light scattering

Articolo

Role of the solvent in the dynamical transitions of proteins: The case of the lysozyme-water system

Articolo

STRUCTURAL PROPERTIES OF MACROMOLECULAR SOLUTIONS

Articolo

Scaling of local density correlations in a fluid close to freezing

Articolo

Self-assembly in a model colloidal mixture of dimers and spherical particles

Articolo

Shape and area fluctuation effects on nucleation theory

Articolo

Shear stress relaxation and physical aging study on simple glass-forming materials

Articolo

Simulation and reference interaction site model theory of methanol and carbon tetrachloride mixtures

Articolo

Simulation and theory of a model for tetrahedral colloidal particles

Articolo

Slow dynamics of supercooled m-toluidine investigated by mechanical spectroscopy

Articolo

Softness and non-spherical shape define the phase behavior and the structural properties of lysozyme in aqueous solutions

Articolo

Some considerations on the transport properties of water-glycerol suspensions

Articolo

Some considerations on the water polymorphism and the liquid-liquid transition by the density behavior in the liquid phase

Articolo

Some thermodynamical aspects of protein hydration water

Articolo

Squeezing lubrication films: layering transition for curved solid surfaces with long range elasticity

Articolo

Statistical entropy and density maximum anomaly in liquid water

Articolo

Statistical mechanics of quantum-classical systems with holonomic constraints

Articolo

Structural properties and medium-range order in calcium-metasilicate (CaSiO3) glass: A molecular dynamics study

Articolo

Structural properties of macromolecular solutions

Articolo

Structural proprerties of macromolecular solutions

Articolo

Structural proprerties of macromolecular solutions

Articolo

Structure and dynamics of sulfur dioxide in water

Articolo

Structure and thermodynamics of core-softened models for alcohols

Articolo

Study of the relaxational and vibrational dynamics of bioprotectant glass-forming mixtures by neutron scattering and molecular dynamics simulation

Articolo

T dependence of vibrational dynamics of water in ion-exchanged zeolites A: A detailed Fourier transform infrared attenuated total reflection study

Articolo

Temperature study of cluster formation in two-Yukawa fluids

Articolo

Tetrahedral order in homologous disaccharide-water mixtures

Articolo

The Mpb5 Diffuse Layer Potential Drop - Reply

Articolo

The Stokes-Einstein relation in water/methanol solutions

Articolo

The alpha-relaxation process in simple glass forming liquid m- toluidine. I. The temperature dependence of the dielectric response

Articolo

The alpha-relaxation process in simple glass forming liquid m- toluidine. II. The temperature dependence of the mechanical response

Articolo

The barrier to ice nucleation in monatomic water

Articolo

The dynamical crossover in attractive colloidal systems

Articolo

The effect of hydrogen bonds on the ultrafast relaxation dynamics of a BODIPY dimer

Articolo

The effective colloid interaction in the Asakura–Oosawa model. Assessment of non-pairwise terms from the virial expansion

Articolo

The fragile-to-strong dynamic crossover transition in confined water: nuclear magnetic resonance results

Articolo

The influence of water on protein properties

Articolo

The puzzle of poly(ethylene oxide) aggregation in water: Experimental findings

Articolo

The structural properties of a two-Yukawa fluid: Simulation and analytical results

Articolo

The structure of water–ammonia mixtures from classical and ab initio molecular dynamics

Articolo

The water bimodal inherent structure and the liquid-liquid transition as proposed by the experimental density data

Articolo

Theoretical and computer simulation study of phase coexistence of nonadditive hard-disk mixtures

Articolo

Thermal expansion of silver iodide-silver molybdate glasses at low temperatures

Articolo

Thermodynamic properties of bulk and confined water

Articolo

Thermodynamic study of alkyl-cyclohexanes in liquid, glassy, and crystalline states

Articolo

Thixotropic behaviour of lysozyme solutions

Articolo

Transient behavior of a model fluid under applied shear

Articolo

Two-dimensional mixture of amphiphilic dimers and spheres: Self-assembly behaviour

Articolo

Twofold reentrant melting in a double-Gaussian fluid

Articolo

Universal behavior of soft-core fluids near the threshold of thermodynamic stability

Articolo

Uptake and reactivity of NO2 on the hydroxylated silica surface: A source of reactive oxygen species

Articolo

VIBRATIONAL DYNAMICS OF GLASSY AND MOLTEN ZNCL2

Articolo

VISCOSITY MEASUREMENTS AND STRUCTURAL PROPERTIES IN AQUEOUS NICL2 SOLUTIONS

Articolo

Vibrational dynamics of permanently densified GeO2 glasses: densification-induced changes of the boson peak

Articolo

Virial coefficients and demixing in the Asakura-Oosawa model

Articolo

Virial coefficients, equation of state, and demixing of binary asymmetric nonadditive hard-disk mixtures

Articolo

Virial expansion of a non-additive hard-sphere mixture

Articolo

Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

Articolo

Why many polymers are so fragile: A new perspective

Articolo

No Results Found

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