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Perturbation approaches for describing dipolar fluids and electrolyte solutions

The Journal of chemical physics, 2020-07, Vol.153 (4), p.044102-044102

2020

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A mean-field approach to simulating anisotropic particles

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084106-084106

2020

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Relaxation dynamics in supercooled oligomer liquids: From shear-stress fluctuations to shear modulus and structural correlations

The Journal of chemical physics, 2019-08, Vol.151 (5)

2019

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An equation of state for Stockmayer fluids based on a perturbation theory for dipolar hard spheres

The Journal of chemical physics, 2019-09, Vol.151 (10)

2019

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Osmotic second virial coefficients for hydrophobic interactions as a function of solute size

The Journal of chemical physics, 2022-06, Vol.156 (22), p.221104-221104

2022

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An efficient and accurate model for water with an improved non-bonded potential

The Journal of chemical physics, 2020-10, Vol.153 (13), p.134105-134105

2020

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Monte Carlo study of interfacial properties of associating fluids

The Journal of chemical physics, 2005-10, Vol.123 (14), p.144704-144704-7

Orea, P.

2005

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Pressure-induced pseudoatom bonding collapse and isosymmetric phase transition in Zr2Cu: first-principles predictions

The Journal of chemical physics, 2013-12, Vol.139 (23), p.234504-234504

2013

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Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

The Journal of chemical physics, 2000-02, Vol.112 (6), p.2718-2735

2000

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The weakest bond : experimental observation of helium dimer

The Journal of chemical physics, 1993-02, Vol.98 (4), p.3564-3567

1993

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Comparative configurational study for He, Ne, and Ar trimers

The Journal of chemical physics, 1999-05, Vol.110 (18), p.9000-9010

1999

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Modern He–He potentials: Another look at binding energy, effective range theory, retardation, and Efimov states

The Journal of chemical physics, 1995-12, Vol.103 (22), p.9626-9630

1995

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An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential

The Journal of chemical physics, 1993-07, Vol.99 (1), p.345-351

1993

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Kinetic isolation of persistent radicals and application to polymer–polymer reactions

The Journal of chemical physics, 1998-06, Vol.108 (22), p.9577-9585

1998

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Penning and associative ionization of mercury by collision with metastable rare gas atoms

The Journal of chemical physics, 1987-10, Vol.87 (7), p.3804-3811

1987

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Ab initio potential and variational transition state theory rate constant for H-atom association with the diamond (111) surface

The Journal of chemical physics, 1994-08, Vol.101 (3), p.2476-2488

1994

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Pairwise and many-body contributions to interaction potentials in He n clusters

The Journal of chemical physics, 1993-01, Vol.98 (1), p.437-443

1993

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Collisional energy transfer in the low-pressure-limit unimolecular dissociation of HO2

The Journal of chemical physics, 1984-06, Vol.80 (11), p.5568-5580

1984

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Empirical potential for the He+CO2 interaction: multiproperty fitting in the infinite-order sudden approximation

The Journal of chemical physics, 1985-02, Vol.82 (4), p.1947-1966

1985

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Intermolecular potentials calculated by an extended geminal model: theory

The Journal of chemical physics, 1986-07, Vol.85 (1), p.262-273

ROEGGE, I

1986

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The association of ammonia with halide ions in the gas phase

The Journal of chemical physics, 1987-03, Vol.86 (5), p.2927-2931

1987

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Complex angular momentum analysis of rotationally inelastic diffraction scattering in sudden atom-homonuclear-molecule collisions

The Journal of chemical physics, 1989-08, Vol.91 (3), p.1668-1687

1989

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Observation of high frequency quantum oscillations in elastic differential cross sections: A critical test of the Ne–Ar interaction potential

The Journal of chemical physics, 1986-05, Vol.84 (9), p.4828-4832

1986

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Application of an approximate double substitution coupled cluster (ACCD) method to the potential curves of CO and NeHe: Higher order correlation effects in chemically and weakly bonded molecules

The Journal of chemical physics, 1981-01, Vol.75 (5), p.2270-2275

1981

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Rare gas diatom polarizabilities

The Journal of chemical physics, 1982-01, Vol.76 (7), p.3447-3460

1982

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Perturbation approaches for describing dipolar fluids and electrolyte solutions

A mean-field approach to simulating anisotropic particles

Relaxation dynamics in supercooled oligomer liquids: From shear-stress fluctuations to shear modulus and structural correlations

An equation of state for Stockmayer fluids based on a perturbation theory for dipolar hard spheres

Osmotic second virial coefficients for hydrophobic interactions as a function of solute size

An efficient and accurate model for water with an improved non-bonded potential

Monte Carlo study of interfacial properties of associating fluids

Pressure-induced pseudoatom bonding collapse and isosymmetric phase transition in Zr2Cu: first-principles predictions

Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

The weakest bond : experimental observation of helium dimer

Comparative configurational study for He, Ne, and Ar trimers

Modern He–He potentials: Another look at binding energy, effective range theory, retardation, and Efimov states

An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential

Kinetic isolation of persistent radicals and application to polymer–polymer reactions

Penning and associative ionization of mercury by collision with metastable rare gas atoms

Ab initio potential and variational transition state theory rate constant for H-atom association with the diamond (111) surface

Pairwise and many-body contributions to interaction potentials in He n clusters

Collisional energy transfer in the low-pressure-limit unimolecular dissociation of HO2

Empirical potential for the He+CO2 interaction: multiproperty fitting in the infinite-order sudden approximation

Intermolecular potentials calculated by an extended geminal model: theory

The association of ammonia with halide ions in the gas phase

Complex angular momentum analysis of rotationally inelastic diffraction scattering in sudden atom-homonuclear-molecule collisions

Observation of high frequency quantum oscillations in elastic differential cross sections: A critical test of the Ne–Ar interaction potential

Application of an approximate double substitution coupled cluster (ACCD) method to the potential curves of CO and NeHe: Higher order correlation effects in chemically and weakly bonded molecules

Rare gas diatom polarizabilities

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