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Allan

Payne M C, Teter M P, Allan D C, Arias T A and Joanopoulos J D 1992 Iterative minimization techniques for ab /M/o total energy calculations molecular dynamics and conjugate gradient Rev. Mod. Phys. 64 1045... [Pg.2356]

Allan N L, G D Barrera, J A Purton, C E Sims and M B Taylor 2000. Ionic Solids at High Temperatures and Pressures Ah initio, Lattice Dynamics and Monte Carlo Studies. Physical Chemistry Chemical Physics 2 1099-1111. [Pg.315]

Fig. 11.38 Lag ejfects in ab initio molecular dynamics. (Figure redrawn from Payne MC, M P Teter, D C Allan, R A Arias and D ] Joannopoidos 1992. Iterative Minimisaticm Techniques for Ab Initio Total-Energy Calculations Molecular Dynamics and Conjugate Gradients. Reviews of Modern Physics 64 1045-1097.)... Fig. 11.38 Lag ejfects in ab initio molecular dynamics. (Figure redrawn from Payne MC, M P Teter, D C Allan, R A Arias and D ] Joannopoidos 1992. Iterative Minimisaticm Techniques for Ab Initio Total-Energy Calculations Molecular Dynamics and Conjugate Gradients. Reviews of Modern Physics 64 1045-1097.)...
Allan N L and W C Mackrodt 1997. High-T Superconductors in Computer Modelling. In Catlow C R A (Editor) Inorganic Crystallography, pp. 241-268. [Pg.648]

Supplement 1955 3634-3793 Sulphonic acids Indigo-disulphonic acid (indigocarmine), 304. Amines, 308. Keto-ammes Pyramidone, 452. Allan-toin, 474. Murexide, 499. Amino-carboxylic acids Histidine, 513. j Hydrazines, 531. Azo compounds, 535. 1... [Pg.1124]

Figure 8.13 The MgATa oxygen Is and carbon Is X-ray photoelectron spectra of a 2 1 mixture of CO and CO2 gases. (Reproduced, with permission, from Allan, C. J. and Siegbahn, K. (November 1971), Publication No. UUIP-754, p. 48, Uppsala University Institute of Physics)... Figure 8.13 The MgATa oxygen Is and carbon Is X-ray photoelectron spectra of a 2 1 mixture of CO and CO2 gases. (Reproduced, with permission, from Allan, C. J. and Siegbahn, K. (November 1971), Publication No. UUIP-754, p. 48, Uppsala University Institute of Physics)...
Figure 8.15 The carbon Is X-ray photoelectron spectra of furan, pyrrole and thiophene. The sulphur Ip spectrum of thiophene is also shown. (Reproduced with permission from Gelius, U., Allan, C. J., Johansson, G., Siegbahn, H., Allison, D. A. and Siegbahn, K., Physica Scripta, 3, 237, 1971)... Figure 8.15 The carbon Is X-ray photoelectron spectra of furan, pyrrole and thiophene. The sulphur Ip spectrum of thiophene is also shown. (Reproduced with permission from Gelius, U., Allan, C. J., Johansson, G., Siegbahn, H., Allison, D. A. and Siegbahn, K., Physica Scripta, 3, 237, 1971)...
Patrick T. Naughtin Mickey G. Huson Brett O. Bateup Francis W. Jones John R. Christoe Les N. Jones Allan G. De Boos Keith R. Millington Ron J. Denning David G. Phillips David J. Evans TonyJ. Pierlot G. Bruce Guise John A. Rippon Barry V. Harrowfield Rob A. Rottenbury Bill Humphries Ian M. Russell CSIRO... [Pg.358]

Antibiotics, P-Lactams, Clavulanic Acid, Thienamycin, and Others," in ECT 3rd ed.. Supplement, pp. 83—131, by Allan Brown, Beecham Research Laboratories. [Pg.56]

ROBINSON - ALLAN - KOSTANECKI Chromone Synthesis Synthesis of chromones or coumannes from o acyioxy aromatic ketones... [Pg.321]


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ROBINSON-ALLAN-KOSTANECKI Chromone

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Van Allan

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