Molecular modeling in mineralogy and geochemistry

[71] IISHI K, 1978, AM MINERAL, V63, P1198

[72] COMPUTER SIMULATION STUDIES OF ZEOLITE STRUCTURE [J]. MOLECULAR SIMULATION, 1988, 1 (04) : 207 - U27

[73] Imaging the continental upper mantle using electromagnetic methods [J]. LITHOS, 1999, 48 (1-4) : 57 - 80

[74] THE DENSITY FUNCTIONAL FORMALISM, ITS APPLICATIONS AND PROSPECTS [J]. REVIEWS OF MODERN PHYSICS, 1989, 61 (03) : 689 - 746

[75] MOLECULAR-DYNAMICS OF SUPERCRITICAL WATER - A COMPUTER-SIMULATION OF VIBRATIONAL-SPECTRA WITH THE FLEXIBLE BJH POTENTIAL [J]. GEOCHIMICA ET COSMOCHIMICA ACTA, 1995, 59 (04) : 641 - 650

[76] Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel's salt) [J]. AMERICAN MINERALOGIST, 2000, 85 (7-8) : 1046 - 1052

[77] The swelling of clays: Molecular simulations of the hydration of montmorillonite [J]. SCIENCE, 1996, 271 (5252) : 1102 - 1104

[78] Ab initio structure of MgSiO3 ilmenite at high pressure [J]. AMERICAN MINERALOGIST, 2000, 85 (02) : 317 - 320

[79] Swelling properties of smectite up to 90°C -: In situ X-ray diffraction experiments and molecular dynamic simulations [J]. ENGINEERING GEOLOGY, 1999, 54 (1-2) : 75 - 79

[80] 3-DIMENSIONAL MODEL OF THE MYOGLOBIN MOLECULE OBTAINED BY X-RAY ANALYSIS [J]. NATURE, 1958, 181 (4610) : 662 - 666

[71] IISHI K, 1978, AM MINERAL, V63, P1198

[72] COMPUTER SIMULATION STUDIES OF ZEOLITE STRUCTURE [J]. MOLECULAR SIMULATION, 1988, 1 (04) : 207 - U27

[73] Imaging the continental upper mantle using electromagnetic methods [J]. LITHOS, 1999, 48 (1-4) : 57 - 80

[74] THE DENSITY FUNCTIONAL FORMALISM, ITS APPLICATIONS AND PROSPECTS [J]. REVIEWS OF MODERN PHYSICS, 1989, 61 (03) : 689 - 746

[75] MOLECULAR-DYNAMICS OF SUPERCRITICAL WATER - A COMPUTER-SIMULATION OF VIBRATIONAL-SPECTRA WITH THE FLEXIBLE BJH POTENTIAL [J]. GEOCHIMICA ET COSMOCHIMICA ACTA, 1995, 59 (04) : 641 - 650

[76] Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel's salt) [J]. AMERICAN MINERALOGIST, 2000, 85 (7-8) : 1046 - 1052

[77] The swelling of clays: Molecular simulations of the hydration of montmorillonite [J]. SCIENCE, 1996, 271 (5252) : 1102 - 1104

[78] Ab initio structure of MgSiO3 ilmenite at high pressure [J]. AMERICAN MINERALOGIST, 2000, 85 (02) : 317 - 320

[79] Swelling properties of smectite up to 90°C -: In situ X-ray diffraction experiments and molecular dynamic simulations [J]. ENGINEERING GEOLOGY, 1999, 54 (1-2) : 75 - 79

[80] 3-DIMENSIONAL MODEL OF THE MYOGLOBIN MOLECULE OBTAINED BY X-RAY ANALYSIS [J]. NATURE, 1958, 181 (4610) : 662 - 666