- David R. Nutt and Anthony J. Stone, Theoretical studies of the interface between water and Langmuir films of aliphatic alcohol. J. Chem. Phys. (2003) 119, 5670-5679.
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Anthony J. Stone, Yuthana Tantirungrotechai and A. David Buckingham, The dielectric virial coefficient and model intermolecular potentials. Phys. Chem. Chem. Phys. (2000) 2, 429-434.
- Orient data files for HCN and methyl fluoride.
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Matthew P. Hodges and Anthony J. Stone, Modelling small hydronium-water clusters. J. Chem. Phys. (1999) 110, 6766-6772.
- Orient data file for the hydronium...water system.
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E. Fraschini and A. J. Stone, H...H model potential for exchange-repulsion energy of methane dimer. J. Comput. Chem. (1998) 19, 847-857.
- Parameter values for the models described in the paper.
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Claude Millot, Jean-Christophe Soetens, Marilia T. C. Martins-Costa, Matthew P. Hodges and Anthony J. Stone, Revised anisotropic site potentials for the water dimer, and calculated properties, J. Phys. Chem. A (1998) 102, 754-770.
- Animated illustrations of the vibrational modes of the water dimer.
- Orient data files for the asp-w2 and asp-w4 models of the water dimer. See the instructions for using these files in conjunction with your own program.
- Orient data files for other water potentials:
- Sprik-Klein (J. Chem. Phys. (1988) 89, 7556)
- Franken-Dykstra (J. Chem. Phys. (1994) 100, 2865)
- Kozack-Jordan (J. Chem. Phys. (1992) 96, 3120)
- MCY (J. Chem. Phys. (1976) 64, 1351)
- NCC (IJQC:QCS (1989) 23, 421)
- SAPT-ss (J. Chem. Phys. (1997) 107, 4207)
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Andrew W. Meredith and Anthony J. Stone, An ab initio and diffusion
Monte Carlo study of the potential energy surface of the CO
dimer,
J. Phys. Chem. A (1998) 102, 434-445.
- Orient data file for the CO dimer.
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U. Koch and A. J. Stone, Conformational dependence of the molecular charge distribution and its influence
on intermolecular interactions, Faraday Transactions (1996) 92, 1701-1708.
- Parameters for the description of the torsional dependence of the atomic multipole moments.
This page is maintained by Anthony Stone, and was last updated on 3 September 2003.