I. R. Mcdonald

发表

Simulation of liquids and solids : molecular dynamics and Monte Carlo methods in statistical mechanics

D. Frenkel, G. Ciccotti, I. R. Mcdonald, 1987 .

Theory of simple liquids

I. R. Mcdonald, J. Hansen, D. Henderson, 1998 .

Microscopic simulation of a strongly coupled hydrogen plasma

I. R. Mcdonald, J. Hansen, 1981 .

Statistical mechanics of dense ionized matter. III. Dynamical properties of the classical one-component plasma

I. R. Mcdonald, J. Hansen, E. L. Pollock, 1975 .

Thermal relaxation in a strongly coupled two-temperature plasma

I. R. Mcdonald, J. Hansen, 1983 .

Theory of Simple Liquids 3rd edition

I. R. Mcdonald, J. Hansen, 2006 .

On the calculation by molecular dynamics of the shear viscosity of a simple fluid

I. R. Mcdonald, K. Singer, E. M. Gosling, 1973 .

Self-diffusion, interdiffusion and long wavelength plasma oscillations in binary ionic mixtures

I. R. Mcdonald, J. Hansen, F. Joly, 1985 .

Chapter 2 – Statistical Mechanics

I. R. Mcdonald, J. Hansen, 2013 .

Dynamical properties of the structure I clathrate hydrate of xenona)

Michael L. Klein, John S. Tse, Ian R. McDonald, 1983 .

Self-diffusion and electrical conductance in a simple molten salt

I. R. Mcdonald, J. Hansen, 1974 .

Excess thermodynamic properties of liquid mixtures of methane and perfluoromethane

I. R. Mcdonald, S. Brode, 1988 .

Statistical mechanics of dense ionized matter. IV. Density and charge fluctuations in a simple molten salt

I. R. Mcdonald, J. Hansen, 1975 .

Effect of changes in pair potential on the dynamical structure factor of molecular crystals

I. R. Mcdonald, M. Klein, C. Murthy, 1980 .

Chapter 6 – Inhomogeneous Fluids

I. R. Mcdonald, J. Hansen, 2006 .

Shear waves in liquid metals

I. R. Mcdonald, G. Jacucci, 1980 .

Nuclear magnetic resonance spin-spin relaxation

I. R. Mcdonald, S. Clough, 1965 .

Molecular dynamics calculations for the liquid and cubic plastic crystal phases of carbon tetrachloride

I. R. Mcdonald, D. Bounds, M. Klein, 1982 .

Electron emission from alkali halides under soft x-ray bombardment

I. R. Mcdonald, C. Delaney, A. Lamki, 1973 .

Simple Liquid Metals

I. R. Mcdonald, J. Hansen, 1990 .

Microscopic simulation of a hydrogen plasma

I. R. Mcdonald, J. Hansen, 1978 .

Intermolecular potentials for ammonia based on SCF–MO calculations

I. R. Mcdonald, D. Bounds, M. Klein, 1981 .

Dynamical behavior of the azide ion in protic solvents

I. R. Mcdonald, M. Klein, M. Ferrario, 1993 .

The radial distribution function in fluid mixtures: Conformal solution theory and molecular dynamics results

I. R. Mcdonald, K. Gubbins, G. Jacucci, 1974 .

The rotator phase of solid caesium cyanide

I. R. Mcdonald, M. Klein, Y. Ozaki, 1982 .

Structural fluctuations and the order-disorder phase transition in calcite

I. R. Mcdonald, M. Ferrario, R. Lynden-Bell, 1994 .

Application of thermodynamic perturbation theory to polar and polarizable fluids

I. R. Mcdonald, 1974 .

Pair interactions and hydrogen-bond networks in models of liquid methanol

I. R. Mcdonald, M. Ferrario, Michael Haughney, 1986 .

Phonon-orientational coupling in sodium nitrite

I. R. Mcdonald, M. Klein, R. Lynden-Bell, 1984 .

Effects of polarization on equilibrium and dynamic properties of ionic systems

I. R. Mcdonald, Aneesur Rahman, G. Jacucci, 1976 .

An intermolecular force model for (HF)2

I. R. Mcdonald, M. Klein, S. O'shea, 1978 .

Charge-transfer molecular dynamics

I. R. Mcdonald, A. Alavi, L. J. Álvarez, 1992 .

Theory of simple liquids

I. R. Mcdonald, J. Hansen, D. Henderson, 1998 .

Computational studies of the structure of monolayers of chlorine physisorbed on the basal plane of graphite

I. R. Mcdonald, D. Tildesley, K. D. Hammonds, 1993 .

Electrostatic interactions in molecular crystals

I. R. Mcdonald, C. Murthy, S. O'shea, 1983 .

Cation transport in lithium sulphate based crystals

I. R. Mcdonald, M. Klein, M. Ferrario, 1995 .

Structure of the fast-ion conducting phase of soil lithium sulphate

I. R. Mcdonald, R. Impey, M. Klein, 1984 .

Structure of solid t-butyl cyanide: A study by means of constant-temperature, constant-pressure, molecular-dynamics simulations

I. R. Mcdonald, M. Klein, M. Ferrario, 1987 .

Structure of solid t‐butyl cyanide: Interpretation of experimental data by means of molecular dynamics simulation

I. R. Mcdonald, M. Klein, M. Ferrario, 1985 .

Models for strongly polar liquids. The influence of molecular polarizability

I. R. Mcdonald, M. Klein, G. Patey, 1980 .

Anion ordering in alkali cyanide crystals

Michael L. Klein, Mauro Ferrario, Ian R. McDonald, 1986 .

Solvent-solute hydrogen bonding in dilute solutions of CN- and CH3CN in water and methanol

I. R. Mcdonald, M. Ferrario, M. Symons, 1992 .

Properties of solid potassium cyanide: Is the physics of cyanide crystals really chemistry?

I. R. Mcdonald, M. Klein, 1983 .

The disordered solid phases of potassium cyanide

I. R. Mcdonald, D. Bounds, M. Klein, 1983 .

Anisotropy of the Electrostatic Interactions and the Properties of Orientationally Disordered Cyanide Crystals

I. R. Mcdonald, D. Bounds, M. Klein, 1981 .

Anharmonic effects in the phonon spectra of sodium chloride

I. R. Mcdonald, M. Klein, G. Jacucci, 1976 .

Disorder in the pseudohexagonal rotator phase of n-alkanes: molecular-dynamics calculations for tricosane

Michael L. Klein, Jean-Paul Ryckaert, Ian R. McDonald, 1989 .

Computer simulations and the interpretation of incoherent neutron scattering experiments on the solid rotator phases of long-chain alkanes

I. R. Mcdonald, J. Ryckaert, M. Klein, 1994 .

Molecular-dynamics simulation of aqueous mixtures : methanol, acetone, and ammonia

Michael L. Klein, Mauro Ferrario, Ian R. McDonald, 1990 .

Structural and dynamic properties of lithium sulphate in its solid electrolyte form

I. R. Mcdonald, R. Impey, M. Klein, 1985 .

Pairwise additive effective potentials for nitrogen

Michael L. Klein, Ian R. McDonald, I. R. Mcdonald, 1980 .

Computer simulation studies of the structure I clathrate hydrates of methane, tetrafluoromethane, cyclopropane, and ethylene oxide

Michael L. Klein, John S. Tse, Ian R. McDonald, 1984 .

Orientational order in ionic crystals containing tetrahedral ions

I. R. Mcdonald, M. Klein, Y. Ozaki, 1983 .

Molecular dynamics studies of ice Ic and the structure I clathrate hydrate of methane

I. R. Mcdonald, M. Klein, J. Tse, 1983 .

Molecular motion in a model of liquid acetonitrile

I. R. Mcdonald, H. Böhm, P. Madden, 1984 .

Computational studies of the structure of carbon dioxide monolayers physisorbed on the basal plane of graphite

I. R. Mcdonald, D. Tildesley, K. D. Hammonds, 1990 .

Properties of the paraelectric-solid and molten phases of sodium nitrite

I. R. Mcdonald, M. Klein, 1982, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Chapter 8 – Hydrodynamics and Transport Coefficients

I. R. Mcdonald, J. Hansen, 2006 .

Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules

I. R. Mcdonald, R. Lynden-Bell, 1981 .

Structure and dynamics of associated molecular systems. IV. The orientationally disordered phase I of solid DCl

I. R. Mcdonald, D. Bounds, M. Klein, 1980 .

Excess thermodynamic properties of mixtures of Lennard-Jones liquids

I. R. Mcdonald, 1972 .

Perturbation theory for mixtures of polar fluids

I. R. Mcdonald, M. V. Chambers, 1975 .

Transport properties of molten alkali halides

G. Ciccotti, I. R. Mcdonald, G. Jacucci, 1976 .

Crystalline potassium perrhenate: a study using molecular dynamics and lattice dynamics

I. R. Mcdonald, M. Dove, R. Lynden-Bell, 1994 .

An equation of state for simple liquids

I. R. Mcdonald, K. Singer, 1972 .

Interaction site models for carbon dioxide

Ian R. McDonald, I. R. Mcdonald, C. Murthy, 1981 .

Molecular dynamics study of the plastic-crystalline phase transition of tetraphosphorus triselenide

I. R. Mcdonald, M. Ferrario, A. Sergi, 1995 .

Structure and dynamics of associated molecular systems. I. Computer simulation of liquid hydrogen fluoride

I. R. Mcdonald, M. Klein, 1979 .

A molecular dynamics study of orientational disordering in crystalline sodium nitrate

I. R. Mcdonald, E. Salje, M. Ferrario, 1989 .

Molecular dynamics calculations for solid and liquid acetylene

I. R. Mcdonald, M. Klein, 1981 .

Structure and dynamics of associated molecular systems. II. Atom–atom potentials and the properties of ammonia

I. R. Mcdonald, M. Klein, R. Righini, 1979 .

Collective dynamical properties of molten salts: molecular dynamics calculations on sodium chloride

I. R. Mcdonald, K. Singer, E. Adams, 1977, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

“Thought-experiments” by molecular dynamics

G. Ciccotti, G. Ciccotti, I. R. Mcdonald, 1979 .

Spectroscopic and transport properties of water

Roger Impey, I. R. Mcdonald, R. Impey, 1982 .

A molecular dynamics study of the rotator phase of t-butyl bromide

I. R. Mcdonald, M. Klein, M. Ferrario, 1987 .

CN stretching in smectic. nematic. isotropic. and solution phases

R. E. Carlson, A. C. Wahl, J. C. Decius, 1978 .

Is hydrogen chloride an associated liquid

I. R. Mcdonald, M. Klein, 1981 .

Corresponding-states correlation of properties of ionic melts

I. R. Mcdonald, D. Adams, 1975 .

Hydration and mobility of ions in solution

Roger Impey, Ian R. McDonald, I. R. Mcdonald, 1983 .

NMR of oriented polymers: the effects of molecular motion on the second and fourth moments of drawn polyoxymethylene

I. R. Mcdonald, V. Mcbrierty, 1973 .

Investigation of the molecular structure in drawn polyethylene based upon nmr fourth moment measurements

I. R. Mcdonald, I. Ward, V. Mcbrierty, 1971 .

Molecular dynamics studies of the behaviour of water molecules and small ions in concentrated solutions of polymeric B-DNA

Ian R. McDonald, I. R. Mcdonald, T. R. Forester, 1991 .

The role of molecular flexibility in simulations of water

I. R. Mcdonald, J. Barrat, 1990 .

Oxygen-oxygen correlations in liquid water

I. R. Mcdonald, R. Impey, P. Madden, 1982 .

Molecular-dynamics simulation of liquid methanol

Mauro Ferrario, Ian R. McDonald, I. R. Mcdonald, 1987 .

Molecular dynamics studies of the structure of water at high temperatures and density

I. R. Mcdonald, R. Impey, M. Klein, 1981 .

An effective pair potential for liquid acetonitrile

Ian R. McDonald, I. R. Mcdonald, H. Böhm, 1983 .

NpT-ensemble Monte Carlo calculations for binary liquid mixtures

I. R. Mcdonald, Taylor Francis, I. R. McDonald, 2002 .

Monte Carlo calculations for one- and two-component fluids in the isothermal-isobaric ensemble

I. R. Mcdonald, I. R. McDonald, 1969 .

Applications of soft matter

I. R. Mcdonald, J. Hansen, 2013, Physics Subject Headings (PhySH).

Static Properties of Liquids: Thermodynamics and Structure

I. R. Mcdonald, J. Hansen, 2013 .

A computer simulation study of the dielectric properties of a model of methyl cyanide

I. R. Mcdonald, P. Madden, D. Edwards, 1984 .

Conformer distribution and the kinetics of trans-gauche isomerization in a model of liquid n-octane

I. R. Mcdonald, J. Ryckaert, K. D. Hammonds, 1993 .

Calculation of thermodynamic properties of liquid argon from Lennard-Jones parameters by a Monte Carlo method

I. R. Mcdonald, K. Singer, K. Singer, 1967 .

Triple-dipole dispersion forces in dense fluids

I. R. Mcdonald, L. V. Woodcock, I R McDonald, 1970 .

Examination of the Adequacy of the 12–6 Potential for Liquid Argon by Means of Monte Carlo Calculations

Ian R. McDonald, I. R. Mcdonald, K. Singer, 1969 .

Molecular-dynamics simulation of argon physisorbed on magnesium oxide

I. R. Mcdonald, A. Alavi, 1990 .

Chapter 11 – Molecular Liquids

I. R. Mcdonald, J. Hansen, 2006 .

Tests of models of molecular reorientation in liquids

I. R. Mcdonald, R. Lynden-Bell, 1982 .

Monte Carlo simulations of mixed monolayers

J. Ilja Siepmann, Ian R. McDonald, I. R. Mcdonald, 1992 .

Chapter 10 – Ionic Liquids

I. R. Mcdonald, J. Hansen, 1986 .

Collective excitations in a liquid alloy

I. R. Mcdonald, G. Jacucci, 1980 .

The static structure factors of a liquid sodium-potassium alloy

I. R. Mcdonald, G. Jacucci, R. Taylor, 1978 .

Time-dependent Correlation and Response Functions

I. R. Mcdonald, J. Hansen, 2013 .

Molecular Dynamics: Principles and Applications

Ian R. McDonald, I. R. Mcdonald, 1978 .

ATOMISTIC SIMULATION OF THE STRETCHING OF NANOSCALE METAL WIRES

I. R. Mcdonald, R. Lynden-Bell, G. M. Finbow, 1997 .

CORRIGENDUM: Rigid-ion models of the interionic potential in the alkali halides

I. R. Mcdonald, D. Adams, D J Adams, 1974 .

Fluids of hard spheres with nonadditive diameters

I. R. Mcdonald, D. Adams, 1975 .

A modification of the Radcliffe pump for use in anaesthetic practice.

I. R. Mcdonald, 1957, British journal of anaesthesia.

HUMAN INFECTION WITH CORYNE‐BACTERIUM OVIS

I. R. Mcdonald, J. Tonge, Y. M. Battet, 1968, The Medical journal of Australia.

A MODIFICATION OF THE RADCLIFFE PUMP FOR THE USE IN ANAESTHETIC PRATICE

I. R. Mcdonald, 1957 .

Theory of Simple Liquids: with Applications to Soft Matter

Jean-Pierre Hansen, Ian R. McDonald, I. R. Mcdonald, 2013 .

HETEROGRAFT AORTIC VALVE REPLACEMENT

I. R. Mcdonald, G. Hale, J. Clarebrough, 1968, The Medical journal of Australia.

The structure of the incommensurate modulated phase of NaNO2

V. Heine, I. R. Mcdonald, R. Lynden-Bell, 1984 .

Introduction of the shell model of ionic polarizability into molecular dynamics calculations

Ian R. McDonald, I. R. Mcdonald, G. Jacucci, 1974 .

Statistical mechanics of dense ionized matter. VIII. Dynamical properties of binary ionic mixtures

I. R. Mcdonald, J. Hansen, P. Vieillefosse, 1979 .

Chapter 4 – Distribution Function Theories

I. R. Mcdonald, J. Hansen, 2013 .

Distribution Function Theories

I. R. Mcdonald, J. Hansen, 1990 .

Chapter 5 – Perturbation Theory

I. R. Mcdonald, J. Hansen, 2006 .

The attenuation and backscattering of electron beams by thin films

I. R. Mcdonald, C. Delaney, A. Lamki, 1971 .

Chapter 4 – Distribution-function Theories

I. R. Mcdonald, J. Hansen, 2006 .

Structure and diffusion in mixtures of rare-gas liquids

I. R. Mcdonald, G. Jacucci, 1975 .

Molecular theory of surface tension

I. R. Mcdonald, K. Freeman, 1973 .

Spectroscopic and molecular dynamics studies of solvation of cyanomethane and cyanide ions

I. R. Mcdonald, M. Ferrario, M. Symons, 1988 .

Free-induction decays in a rotating solid

I. R. Mcdonald, 1971 .

A six-site anisotropic atom-atom potential model for the condensed phases of benzene

Sarah L. Price, I. R. Mcdonald, S. Price, 1988 .

Monte Carlo study of the properties of self-assembled monolayers formed by adsorption of CH3(CH2)15SH on the (111) surface of gold

I. R. Mcdonald, J. I. Siepmann, J. Siepmann, 1993 .

MONTE CARLO STUDIES OF THE MICROSCOPIC PROPERTIES OF ORGANIC THIN FILMS

I. R. Mcdonald, J. I. Siepmann, J. Siepmann, 1993 .

Monte-Carlo computations for molten potassium chloride based on the Pauling potential

I. R. Mcdonald, S. Romano, 1973 .

Thermodynamics of molten salt mixtures

I. R. Mcdonald, D. Adams, 1977 .

First-principles simulation of phosphorus-selenium systems

I. R. Mcdonald, F. Buda, M. Ferrario, 1996 .

Equilibrium theory of liquid mixtures

I. R. Mcdonald, K. Singer, 1973 .

Graph Theoretic Techniques in the Theory of Classical Fluids

I. R. Mcdonald, S. O'gorman, 1978 .

Hydrodynamics and Transport Coefficients

I. R. Mcdonald, J. Hansen, 1990 .

Monte Carlo simulation of the average force between two ions in a Stockmayer solvent

I. R. Mcdonald, J. Rasaiah, 1975 .

Theories of Time-correlation Functions

I. R. Mcdonald, J. Hansen, 2013 .

Chapter 9 – Theories of Time-correlation Functions

I. R. Mcdonald, J. Hansen, 2006 .

Time-Dependent Density Fluctuations in a Strongly Coupled Ionic Mixture

I. R. Mcdonald, J. Hansen, P. Vieillefosse, 1977 .

Chapter 7 – Time-dependent Correlation and Response Functions

I. R. Mcdonald, J. Hansen, 2006 .

Velocity autocorrelation function and dynamical structure factor of the classical one-component plasma

I. R. Mcdonald, J. Hansen, E. L. Pollock, 1974 .

Machine Calculation of Thermodynamic Properties of a Simple Fluid at Supercritical Temperatures

Ian R. McDonald, I. R. Mcdonald, K. Singer, 1967 .

The Statistics of Secondary Electron Emission from Some Alkali Halides

I. R. Mcdonald, C. Delaney, V. Weldon, 1979, IEEE Transactions on Nuclear Science.

A computation of secondary electron emission statistics and its application to single electron spectra in photo- and electron multipliers

I. R. Mcdonald, C. Delaney, A. Cafolla, 1975 .

Molecular dynamics studies of hydrogen-bonded liquids

I. R. Mcdonald, M. Klein, 1978 .

NUCLEAR MAGNETIC RESONANCE TRANSIENTS IN THE PRESENCE OF A STRONG RADIOFREQUENCY FIELD.

I. R. Mcdonald, S. Clough, 1967 .

The Width of Nuclear Magnetic Resonance Rotary Saturation Lines

K. W. Gray, I. R. Mcdonald, S. Clough, 1963 .

Comment on the structure of liquid ammonia

I. R. Mcdonald, M. Klein, 1981 .

Surface tension of polar liquids

I. R. Mcdonald, K. Gubbins, J. Haile, 1977 .

Nonequilibrium Thermodynamics and its Statistical Foundations

I. R. Mcdonald, I R McDonald, 1982 .

Intermolecular potentials and the properties of liquid and solid hydrogen sulphide

I. R. Mcdonald, M. Klein, T. Forester, 1989 .

Finite-size corrections to the chemical potential

D. Frenkel, I. R. Mcdonald, J. Siepmann, 1992 .

Lattice vibrations of ices Ih, VIII, and IX

I. R. Mcdonald, M. Klein, J. Tse, 1984 .

Domain formation and system-size dependence in simulations of self-assembled monolayers

I. R. Mcdonald, J. Siepmann, 1993 .

Static disorder in the mixed crystals (KCN) x (KBr)1−x and its relation to dynamical properties

I. R. Mcdonald, D. Bounds, M. Klein, 1982 .

A molecular dynamics study of the lattice vibrations of sodium chloride

I. R. Mcdonald, M. Klein, G. Jacucci, 1975 .

Monte Carlo simulation of the mechanical relaxation of a self-assembled monolayer.

I. R. Mcdonald, Mcdonald, Siepmann, 1993, Physical review letters.

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

I. R. Mcdonald, F. Buda, M. Ferrario, 2000 .

Intermolecular potentials and the simulation of liquid water

I. R. Mcdonald, M. Klein, 1978 .

Analysis of translation-rotation coupling in an orientationally disordered ionic crystal

I. R. Mcdonald, M. Klein, R. Lynden-Bell, 1983 .

Chapter 3 – Static Properties of Liquids: Thermodynamics and Structure

I. R. Mcdonald, J. Hansen, 2006 .

Shear viscosity of liquid mixtures in the hard-sphere approximation

I. R. Mcdonald, 1973 .

The study of simple liquids by computer simulation

I. R. Mcdonald, K. Singer, 1970 .

Thermodynamic and dielectric properties of polar lattices

I. R. Mcdonald, D. Adams, 1976 .

Nuclear magnetic resonance in a rotating crystal and the motional-narrowing line-width transition

I. R. Mcdonald, S. Clough, 1970 .

Modeling of Simple Nonpolar Molecules for Condensed Phase Simulations

I. R. Mcdonald, C. Murthy, K. Singer, 1983 .

Molecular-dynamics study of phase I of RbCN

I. R. Mcdonald, D. Bounds, M. Klein, 1981 .