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1-20 OF 140 RESULTS FOR
molecular dynamics
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Journal Article
Complexions and stoichiometry of the 60.8°//[100](011) symmetrical tilt grain boundary in Mg 2 SiO 4 forsterite: A combined empirical potential and first-principles study
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2022
American Mineralogist (2022) 107 (11): 2034–2043.
Journal Article
Topology and Rigidity of Silicate Melts and Glasses
Publisher: Mineralogical Society of America
Published: 01 May 2022
Reviews in Mineralogy and Geochemistry (2022) 87 (1): 163–191.
Journal Article
Molecular Simulations of Oxide and Silicate Melts and Glasses
Publisher: Mineralogical Society of America
Published: 01 May 2022
Reviews in Mineralogy and Geochemistry (2022) 87 (1): 193–227.
Journal Article
Biomarkers in the Precambrian: Earth’s Ancient Sedimentary Record of Life
Journal: Elements
Publisher: Mineralogical Society of America
Published: 01 April 2022
Elements (2022) 18 (2): 93–99.
Journal Article
Biomarkers: Molecular Tools to Study Life, Environment, and Climate
Journal: Elements
Publisher: Mineralogical Society of America
Published: 01 April 2022
Elements (2022) 18 (2): 79–85.
Journal Article
Advancing Analytical Frontiers in Molecular Organic Biomarker Research Through Spatial and Mass Resolution
Journal: Elements
Publisher: Mineralogical Society of America
Published: 01 April 2022
Elements (2022) 18 (2): 107–113.
Journal Article
Biomarkers in Extreme Environments on Earth and the Search for Extraterrestrial Life in Our Solar System
Journal: Elements
Publisher: Mineralogical Society of America
Published: 01 April 2022
Elements (2022) 18 (2): 100–106.
Journal Article
Gold speciation in hydrothermal fluids revealed by in situ high energy resolution X-ray absorption spectroscopy
Gleb S. Pokrovski, Elsa Desmaele, Clément Laskar, Elena F. Bazarkina, Denis Testemale, Jean-Louis Hazemann, Rodolphe Vuilleumier, Ari Paavo Seitsonen, Guillaume Ferlat, Antonino Marco Saitta
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 March 2022
American Mineralogist (2022) 107 (3): 369–376.
Journal Article
Effect of Polar Molecule Aggregation on the Stability of Crude Oil/Water Interface: A Molecular Simulation Study
Journal: Lithosphere
Publisher: GSW
Published: 11 November 2021
Lithosphere (2021) 2021 (Special 4): 8465197.
Journal Article
First-principles Molecular Dynamics maps out complete mineral surface acidity landscape
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2021
American Mineralogist (2021) 106 (11): 1705–1706.
Journal Article
Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2021
American Mineralogist (2021) 106 (11): 1736–1743.
Journal Article
Enhancement of Heavy Oil Recovery with High CO 2 Injection Rates in Silica Nanochannel
Journal: Lithosphere
Publisher: GSW
Published: 21 September 2021
Lithosphere (2021) 2021 (Special 1): 3363280.
Journal Article
Crystal structure of Ag-exchanged levyne intergrown with erionite: Single-crystal X-ray diffraction and Molecular Dynamics simulations
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2020
American Mineralogist (2020) 105 (11): 1631–1638.
Journal Article
Density and sound velocity of liquid Fe-S alloys at Earth's outer core P-T conditions
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 September 2020
American Mineralogist (2020) 105 (9): 1349–1354.
Journal Article
A novel method for solving the impact of clay on concrete workability: dimensional design and mechanism analysis
Journal: Clay Minerals
Published: 02 April 2020
Clay Minerals (2020) 55 (1): 53–62.
Journal Article
Computer modeling of apparently straight bond angles: The intriguing case of all-silica ferrierite
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2019
American Mineralogist (2019) 104 (11): 1546–1555.
Journal Article
Defect and temperature effects on the mechanical properties of kaolinite: a molecular dynamics study
Journal: Clay Minerals
Published: 24 May 2019
Clay Minerals (2019) 54 (2): 153–159.
Journal Article
Adsorption of 5-aminosalicylic acid on kaolinite surfaces at a molecular level
Mahmoud E. Awad, Elizabeth Escamilla-Roa, Ana Borrego-Sánchez, César Viseras, Alfonso Hernández-Laguna, C. Ignacio Sainz-Díaz
Journal: Clay Minerals
Published: 01 March 2019
Clay Minerals (2019) 54 (1): 49–56.
Journal Article
Interatomic potentials of Mg ions in aqueous solutions: structure and dehydration kinetics
Journal: European Journal of Mineralogy
Publisher: GeoScienceWorld Journals
Published: 01 March 2019
European Journal of Mineralogy (2019) 31 (2): 275–287.
Includes: Supplemental Content
Journal Article
Liquid properties in the Fe-FeS system under moderate pressure: Tool box to model small planetary cores
Guillaume Morard, Johann Bouchet, Attilio Rivoldini, Daniele Antonangeli, Mathilde Roberge, Eglantine Boulard, Adrien Denoeud, Mohamed Mezouar
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2018
American Mineralogist (2018) 103 (11): 1770–1779.
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