Zobrazeno 1 - 10
of 13
pro vyhledávání: '"D. H. GAY"'
Publikováno v:
Journal of Materials Science. 31:1151-1156
Computer simulation techniques have been used to predict the crystal morphology of the spinel ZnCr2O4. In agreement with experiment, crystallites are predicted to be essentially octahedral with the {111} surface dominating the structure. However, sur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3e2a1c99be02399b610cd2afbf4041c
https://doi.org/10.1007/bf00353093
https://doi.org/10.1007/bf00353093
Autor:
A. L. Rohl, D. H. Gay
Publikováno v:
Mineralogical Magazine. 59:607-615
A new computer code (MARVIN) has been developed for the simulation of surfaces and interfaces. The models and methodologies employed within the program are briefly discussed. One application of the code, calculating crystal morphologies, is explored
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a2ea5f5e7d7b8a45fdb8af0dd7e432c
https://doi.org/10.1180/minmag.1995.059.397.04
https://doi.org/10.1180/minmag.1995.059.397.04
Publikováno v:
Philosophical Magazine A. 72:121-138
In this work we study the energies and structures of (hk0) surfaces in NiO by computer simulation. The short-range interactions are described by Buckingham potentials. The O ion is treated as polarizable by employing the shell model. The coefficients
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::17e2e20f0f51d4d821375b071679c4da
https://doi.org/10.1080/01418619508239586
https://doi.org/10.1080/01418619508239586
Publikováno v:
ChemInform. 23
The pressure second virial coefficients, including fourth‐order many‐body effects, have been calculated for methane and are found to agree with the experiment on the average, to 2.8% over the temperature range 110–623 K using the basis set of S
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b55eec92b492ccb444c0c076bbbd5b41
https://doi.org/10.1002/chin.199219056
https://doi.org/10.1002/chin.199219056
Autor:
C. R. A. CATLOW, L. ACKERMANN, R. G. BELL, D. H. GAY, S. HOLT, D. W. LEWIS, M. A. NYGREN, G. SASTRE, D. C. SAYLE, P. E. SINCLAIR
Publikováno v:
ChemInform. 28
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e152ae1dd2ad685e6830d4b91845ab1
https://doi.org/10.1002/chin.199725300
https://doi.org/10.1002/chin.199725300
Publikováno v:
Chemisorption and Reactivity on Supported Clusters and Thin Films ISBN: 9789048148073
A fundamental understanding of the chemistry of solids and their surfaces requires accurate models of structures and processes at the atomic level. Our knowledge of the physics and chemistry of solids is being advanced rapidly by the application of c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::86e0fecf5d73e833a8b38fbffb176ad2
https://doi.org/10.1007/978-94-015-8911-6_17
https://doi.org/10.1007/978-94-015-8911-6_17
Autor:
C. R. A. Catlow, L. Ackermann, R. G. Bell, D. H. Gay, S. Holt, D. W. Lewis, M. A. Nygren, G. Sastre, D. C. Sayle, P. E. Sinclair
Publikováno v:
Computer Modelling of Electronic and Atomic Processes in Solids ISBN: 9780792344032
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6e86afd1dc12d99adf2835b928a0fee
https://doi.org/10.1007/978-94-011-5662-2_2
https://doi.org/10.1007/978-94-011-5662-2_2
Publikováno v:
Forces in Scanning Probe Methods ISBN: 9789401040273
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2314730ee7ce4a2d7f040c6d1e894aa0
https://doi.org/10.1007/978-94-011-0049-6_17
https://doi.org/10.1007/978-94-011-0049-6_17
Autor:
A. L. Rohl, J. P. van der Eerden, P. Bennema, B. Heywood, J. W. M. Frenken, B. Yu. Shekunov, L. V. Woodcock, D. H. Gay, M. J. Reynhout, P. Meenan, A. A. Chernov, W. J. Benton, G. M. Parkinson, J. N. Sherwood, R. J. Davey, J. D. Hopwood, T. A. Twomey, I. R. Collins, L. Leiserowitz, M. Lal, S. J. Maginn, C. S. Cundy, P. G. Higgs, K. J. Roberts, M. Mohammadi, Pan Feng, S. Warr, G. Goldbeck-Wood, K. M. Robinson
Publikováno v:
Faraday Discussions. 95:367
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bfed738bf2663ff0a43b91e65989d00b
https://doi.org/10.1039/fd9939500367
https://doi.org/10.1039/fd9939500367
Autor:
D. Dehnhard, D. H. Gay, C. L. Blilie, S. J. Seestrom-Morris, M. A. Franey, C. L. Morris, R. L. Boudrie, T. S. Bhatia, C. Fred Moore, L. C. Bland, H. Ohnuma
Publikováno v:
Physical Review C. 30:242-246
Excitation functions for inelastic scattering of ..pi../sup -/ from /sup 48/Ca to the 1/sup +/ state at 10.2 MeV have been measured at constant momentum transfer q = 73 MeV/c. The incident energy was varied between 116 and 180 MeV. An upper limit was
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::847453f9020cd801c2d2668d4f189284
https://doi.org/10.1103/physrevc.30.242
https://doi.org/10.1103/physrevc.30.242