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Results: 1-10 |
Results: 10
Systematic ab initio study of the compressibility of silicate garnets
Authors: Milman, V Akhmatskaya, EV Nobes, RH Winkler, B Pickard, CJ White, JA
Citation: V. Milman et al., Systematic ab initio study of the compressibility of silicate garnets, ACT CRYST B, 57, 2001, pp. 163-177
Garnets: structure, compressibility, dynamics, and disorder
Authors: Milman, V Winkler, B Nobes, RH Akhmatskaya, EV Pickard, CJ White, JA
Citation: V. Milman et al., Garnets: structure, compressibility, dynamics, and disorder, JOM-J MIN, 52(7), 2000, pp. 22-25
Structure and properties of aluminosilicate garnets and katoite: an ab initio study
Authors: Nobes, RH Akhmatskaya, EV Milman, V Winkler, B Pickard, CJ
Citation: Rh. Nobes et al., Structure and properties of aluminosilicate garnets and katoite: an ab initio study, COMP MAT SC, 17(2-4), 2000, pp. 141-145
Computational chemistry on Fujitsu vector-parallel processors: Developmentand performance of applications software
Authors: Rendell, AP Bliznyuk, A Huber, T Nobes, RH Akhmatskaya, EV Fruchtl, HA Kung, PWC Milman, V Lung, H
Citation: Ap. Rendell et al., Computational chemistry on Fujitsu vector-parallel processors: Developmentand performance of applications software, PARALLEL C, 26(7-8), 2000, pp. 887-911
Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study
Authors: Milman, V Winkler, B White, JA Pickard, CJ Payne, MC Akhmatskaya, EV Nobes, RH
Citation: V. Milman et al., Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study, INT J QUANT, 77(5), 2000, pp. 895-910
Bonding and dynamics of Mg in pyrope: a theoretical investigation
Authors: Winkler, B Milman, V Akhmatskaya, EV Nobes, RH
Citation: B. Winkler et al., Bonding and dynamics of Mg in pyrope: a theoretical investigation, AM MINERAL, 85(3-4), 2000, pp. 608-612
An ab initio study of hydrogarnets
Authors: Nobes, RH Akhmatskaya, EV Milman, V White, JA Winkler, B Pickard, CJ
Citation: Rh. Nobes et al., An ab initio study of hydrogarnets, AM MINERAL, 85(11-12), 2000, pp. 1706-1715
Structural properties of garnets under pressure: An ab initio study
Authors: Akhmatskaya, EV Nobes, RH Milman, V Winkler, B
Citation: Ev. Akhmatskaya et al., Structural properties of garnets under pressure: An ab initio study, Z KRISTALL, 214(12), 1999, pp. 808-819
Monte Carlo simulation of F-(H2O)(4) using an ab initio potential
Authors: Vaughn, SJ Akhmatskaya, EV Vincent, MA Masters, AJ Hillier, IH
Citation: Sj. Vaughn et al., Monte Carlo simulation of F-(H2O)(4) using an ab initio potential, J CHEM PHYS, 110(9), 1999, pp. 4338-4346
Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential
Authors: Akhmatskaya, EV Cooper, MD Burton, NA Masters, AJ Hillier, IH
Citation: Ev. Akhmatskaya et al., Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential, INT J QUANT, 74(6), 1999, pp. 709-719
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