Zobrazeno 1 - 10
of 143
pro vyhledávání: '"D.J. Tildesley"'
Autor:
M.P. Allen, D.J. Tildesley
Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number
Publikováno v:
Molecular Physics. 92:825-833
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51dff824108455cd7a0be6d2aade4fab
https://doi.org/10.1080/00268979709482154
https://doi.org/10.1080/00268979709482154
Publikováno v:
Molecular Physics. 91:357-369
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::54309fc7cc5765eb8d563dfc86eb6ccb
https://doi.org/10.1080/00268979709482724
https://doi.org/10.1080/00268979709482724
Autor:
M.R.S. Pinches, D.J. Tildesley
Publikováno v:
Surface Science. 367:177-195
A potential model has been developed to study the behaviour of CF4 adsorbed on graphite. To avoid the normal problems in simulating commensurate/incommensurate phase transitions, we have studied a patch of 400 molecules in the centre of a periodicall
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::631a6774549e989448af956bd371987c
https://doi.org/10.1016/s0039-6028(96)00867-9
https://doi.org/10.1016/s0039-6028(96)00867-9
Akademický článek
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Autor:
E.S. Severin, D.J. Tildesley
Publikováno v:
Molecular Physics. 41:1401-1418
In this paper we present a molecular dynamics study of a methane molecule adsorbed on a graphite surface. The methane is modelled using five interaction sites and the surface is an infinite hexagonal array of carbon atoms. The potential parameters ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cc1813663dcc538805885f8764b3c83
https://doi.org/10.1080/00268978000103621
https://doi.org/10.1080/00268978000103621
Autor:
D.J. Tildesley
Publikováno v:
Molecular Physics. 41:341-360
A perturbation theory for predicting the thermodynamic properties and structure of a molecular liquid is described. The theory is applied to a two-centre Lennard-Jones fluid and the properties of this fluid are calculated from the properties of a har
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c8eeabba9c2b3215eae086d33bd9a3f
https://doi.org/10.1080/00268978000102811
https://doi.org/10.1080/00268978000102811
Publikováno v:
Molecular Physics. 32:711-719
A theoretical calculation of the 14N2/15N2 and 14N2/14N15N liquid-vapour isotope separation factors using a diatomic, or atom-atom potential is undertaken. The results show that this potential is capable of representing the isotope separation factors
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::417bcb1db93cd081d245a378434075cf
https://doi.org/10.1080/00268977600102151
https://doi.org/10.1080/00268977600102151
Publikováno v:
Molecular Physics. 39:1169-1187
The mean squared force in a general molecular liquid is developed in terms of the spherical harmonic expansion of the interaction energy of two molecules. The convergence of this series is examined by calculating the mean squared force and the expans
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::656c61ada4e8e4704d1b8d0e5ba4eabc
https://doi.org/10.1080/00268978000100981
https://doi.org/10.1080/00268978000100981
Autor:
D.J. Tildesley, W.B. Streett
Publikováno v:
Molecular Physics. 41:85-94
Monte Carlo simulations are reported for 45 state points of the hard dumbell system covering elongations l/σ from 0·2 to 1·0 and densities σd 3 from 0·2 to 0·9 (l is the bond length, σ the atom diameter and the d the diameter of a sphere with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05eafacb61c10def77652a7aadc1e1b7
https://doi.org/10.1080/00268978000102591
https://doi.org/10.1080/00268978000102591