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A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids

Molecular physics, 1984-04, Vol.51 (5), p.1243-1252

1984

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Pathways to dissociation of O 2 on Cu (110) surface: first principles simulations

Surface science, 2000-07, Vol.459 (1), p.104-114

2000

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First principles calculation of oxygen adsorption and reconstruction of Cu(110) surface

Surface science, 1998-09, Vol.415 (1), p.194-211

1998

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Pathways to dissociation of O2 on Cu (110) surface: first principles simulations

Surface science, 2000-07, Vol.459 (1-2), p.104-114

2000

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Dissociation pathways of oxygen on copper [formula omitted] surface: a first principles study

Computational materials science, 2000-06, Vol.17 (2-4), p.133-140

2000

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A loose-coupling, constant-pressure, molecular dynamics algorithm for use in the modelling of polymer materials

Computer physics communications, 1991-03, Vol.62 (2), p.360-369

1991

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The determination of rotational correlation times in liquids from Raman bandshapes

Chemical physics letters, 1972-02, Vol.13 (2), p.97-100

1972

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Raman spectra of lattice vibrations in liquid and solid monovalent metal nitrates

Chemical physics letters, 1969-09, Vol.4 (1), p.39-42

Clarke, J.H.R.

1969

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Molecular dynamics simulations on distributed memory machines

Computer physics communications, 1991-12, Vol.67 (2), p.261-267

1991

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The rheological properties of model liquid n-hexane determined by non-equilibrium molecular dynamics

Chemical physics letters, 1983-07, Vol.98 (6), p.579-583

1983

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Vibrational spectra of the tris(methylmercuric) sulphonium and tris(methylmercuric)oxonium ions

Spectrochimica acta. Part A: Molecular spectroscopy, 1967-01, Vol.23 (7), p.2077-2087

1967

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Ionic reorientational motions in aqueous solutions: a depolarized light scattering study of NO 3 - and SCN

Molecular physics, 1981-12, Vol.44 (6), p.1435-1451

1981

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Molecular dynamics computer simulation of chain molecule liquids: I. The coupling of torsional motions to translational diffusion

Molecular physics, 1986-07, Vol.58 (4), p.815-825

1986

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In-situ determination of particle size distributions in colloids

Advances in colloid and interface science, 1989, Vol.29 (3), p.277-318

1989

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Nitrate ion reorientation in aqueous calciuim nitrate solutions: new evidence for ion association

Chemical physics letters, 1983-06, Vol.98 (2), p.172-175

1983

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The absolute intensity of depolarised light scattering from liquid argon

Chemical physics letters, 1981-05, Vol.80 (1), p.42-44

1981

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Structure and nonlinear optical properties of Langmuir-Blodgett films from p-nitroaniline derivatives

Thin solid films, 1992-04, Vol.210, p.185-187

1992

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Depolarised Rayleigh scattering from liquid carbon monoxide, nitrogen and oxygen

Chemical physics letters, 1975-03, Vol.31 (2), p.355-360

1975

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Ionic reorientational motions in aqueous solutions: a depolarized light scattering study of NO3 - and SCN

Molecular physics, 1981-12, Vol.44 (6), p.1435-1451

1981

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Force and torque correlations in diatomic fluids

Molecular physics, 1984-04, Vol.51 (5), p.1253-1267

1984

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The use of sputtering as a method for analysing surface chemical composition: A molecular dynamics study

Surface science, 1981-04, Vol.105 (1), p.225-239

1981

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Boundary problems in the calculation of light scattering intensities from liquids using computer simulation

Chemical physics letters, 1981-01, Vol.78 (1), p.121-124

1981

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Molecular orientation correlations and reorientational motions in liquids carbon monoxide, nitrogen and oxygen at 77 K; A Raman and Rayleigh light-scattering study

Molecular physics, 1976-05, Vol.31 (5), p.1425-1446

1976

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The polarisability of LiCl as a function of bond distance

Chemical physics letters, 1977, Vol.45 (2), p.367-369

1977

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The effect of vibration-rotation coupling on Raman band shapes in liquids

Chemical physics letters, 1978-06, Vol.56 (2), p.235-240

1978

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A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids

Pathways to dissociation of O 2 on Cu (110) surface: first principles simulations

First principles calculation of oxygen adsorption and reconstruction of Cu(110) surface

Pathways to dissociation of O2 on Cu (110) surface: first principles simulations

Dissociation pathways of oxygen on copper [formula omitted] surface: a first principles study

A loose-coupling, constant-pressure, molecular dynamics algorithm for use in the modelling of polymer materials

The determination of rotational correlation times in liquids from Raman bandshapes

Raman spectra of lattice vibrations in liquid and solid monovalent metal nitrates

Molecular dynamics simulations on distributed memory machines

The rheological properties of model liquid n-hexane determined by non-equilibrium molecular dynamics

Vibrational spectra of the tris(methylmercuric) sulphonium and tris(methylmercuric)oxonium ions

Ionic reorientational motions in aqueous solutions: a depolarized light scattering study of NO 3 - and SCN

Molecular dynamics computer simulation of chain molecule liquids: I. The coupling of torsional motions to translational diffusion

In-situ determination of particle size distributions in colloids

Nitrate ion reorientation in aqueous calciuim nitrate solutions: new evidence for ion association

The absolute intensity of depolarised light scattering from liquid argon

Structure and nonlinear optical properties of Langmuir-Blodgett films from p-nitroaniline derivatives

Depolarised Rayleigh scattering from liquid carbon monoxide, nitrogen and oxygen

Ionic reorientational motions in aqueous solutions: a depolarized light scattering study of NO3 - and SCN

Force and torque correlations in diatomic fluids

The use of sputtering as a method for analysing surface chemical composition: A molecular dynamics study

Boundary problems in the calculation of light scattering intensities from liquids using computer simulation

Molecular orientation correlations and reorientational motions in liquids carbon monoxide, nitrogen and oxygen at 77 K; A Raman and Rayleigh light-scattering study

The polarisability of LiCl as a function of bond distance

The effect of vibration-rotation coupling on Raman band shapes in liquids

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