Inhaltsbereich
Publications
(Co) Author: Spiekermann, G.
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(2013): Vibrational properties of silica species in MgO-SiO2 glasses obtained from ab initio molecular dynamics. Chemical Geology, 346, 22-33.
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(2012): Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics. The Journal of Chemical Physics, 137, 164506.| EDOC: 19297 | 10.1063/1.4761824 |
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(2012): Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics. The Journal of Chemical Physics, 136, 154501-154501-13.
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(2012): Ab initio vibrational properties of silica species in aqueous fluids. Mineralogical Magazine, 76, 6, 2400.| EDOC: 19009 |
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(2010): Ab initio molecular dynamics study of single phase SiO2-H2O fluids at supercritical conditions. Geochimica et Cosmochimica Acta, 74, 12, Suppl. 1, A982.| EDOC: 14929 |
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(2012): From fluid speciation to the thermodynamics of fluid-rock interactions: Insights from DFT calculations. 243rd American Chemical Society National Meeting (San Diego, USA 2012), 18278.| EDOC: 18338 |
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(2012): Vibrational properties of liquid and supercritical water: Insights from ab initio molecular dynamics and Raman spectroscopy. 1st European Mineralogical Conference - EMC (Frankfurt/Main, Germany 2012), EMC2012-509.| EDOC: 19094 |
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(2012): Vibrational analysis of silica species in MgO-SiO2 glasses using ab initio molecular dynamics. Conference Abstracts, 14th International Conference Experimental Mineralogy Petrology Geochemistry - EMPG (Kiel, Germany 2012), 131.| EDOC: 18272 |
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(2012): Vibrational properties of silica species in MgO-SiO2 glasses from ab initio molecular dynamics. General Assembly European Geosciences Union (Vienna, Austria 2012).| EDOC: 18408 |
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(2011): Structure and properties of CaO-Al2O3-SiO2 melts: Insights from molecular dynamics simulations. 9th Silicate Melt Workshop (La Petite Pierre, France 2011), 40.| EDOC: 17509 |
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(2011): Mode-projected vibrational analysis and Raman spectra of silica species in aqueous solution using ab initio molecular dynamics. 9th Silicate Melt Workshop (La Petite Pierre, France 2011), 69.| EDOC: 17511 |
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(2011): Mode-projected vibrational analysis and Raman spectra of silica species in aqueous solution using ab initio molecular dynamics. 7th European Conference on Mineralogy and Spectroscopy - ECMS 2011 (Potsdam, Germany 2011), 79.| EDOC: 17531 |
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(2010): Ab initio molecular dynamics simulations of geological melts and fluids. NIC-Symposium (Jülich 2010), 32.| EDOC: 14678 |
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(2010): SiO2-H2O fluid at supercritical conditions studied by ab initio molecular dynamics. Abstract Book, PSIk-2010 Conference: Ab initio (from the electronic structure) calculations of processes in materials and (bio)molecules (Berlin 2010), 94.| EDOC: 15713 |
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(2010): Supercritical H2O-SiO2 fluid studied by ab initio molecular dynamics. Abstract Book, 88. Jahrestagung der Deutschen Mineralogischen Gesellschaft - From Dust to Dust - (Münster 2010), P11-06.| EDOC: 15806 |
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(2009): Modeling of silicate melts relevant to the earth's mantle using both classical and ab initio methods. Hands-on tutorial on ab initio molecular simulations: Toward a First-Principles Understanding of Materials Properties and Functions (Berlin, Germany 2009), P41.| EDOC: 13545 |
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(2002): Is there Radiative Heat Transfer in the Mantle?. HPMPS-Workshop (Verbania, Italien 2002).| EDOC: 6398 |
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(2012): Structure and properties of SiO2-bearing aqueous fluids and glasses from first principles modeling. 111.