GFZ Potsdam - Publications

Publications

Helmholtz Centre Potsdam
GFZ German Research Centre for Geosciences

(Co) Author: Steele-MacInnis, M.

| Paper (ISI journals) [7] | Conference Paper [5] | All [12] |

Paper (ISI journals)

Schmidt, C.; Steele-MacInnis, M.; Watenphul, A.; Wilke, M. (2013): Calibration of zircon as a Raman spectroscopic pressure sensor to high temperatures and application to water-silicate melt systems. American Mineralogist, 98, 4, 643-650.
| EDOC: 20518 | 10.2138/am.2013.4143 |

Spiekermann, G.; Steele-MacInnis, M.; Kowalski, P. M.; Schmidt, C.; Jahn, S. (2013): Vibrational properties of silica species in MgO-SiO2 glasses obtained from ab initio molecular dynamics. Chemical Geology, 346, 22-33.
| EDOC: 20575 | 10.1016/j.chemgeo.2012.08.020 |

Spiekermann, G.; Steele-MacInnis, M.; Kowalski, P. M.; Schmidt, C.; Jahn, S. (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 |

Spiekermann, G.; Steele-MacInnis, M.; Schmidt, C.; Jahn, S. (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.
| EDOC: 18342 | 10.1063/1.3703667 | PDF |

Spiekermann, G.; Steele-MacInnis, M.; Schmidt, C.; Kowalski, P. M.; Jahn, S. (2012): Ab initio vibrational properties of silica species in aqueous fluids. Mineralogical Magazine, 76, 6, 2400.
| EDOC: 19009 |

Schmidt, C.; Steele-MacInnis, M.; Wilke, M. (2011): Zircon as a Raman spectroscopic pressure sensor. Mineralogical Magazine, 75, 3, 1819.
| EDOC: 17416 |

Steele-MacInnis, M.; Schmidt, C.; Bodnar, R. J. (2011): Silica speciation in aqueous sodium silicate solutions. Mineralogical Magazine, 75, 3, 1932.
| EDOC: 17415 |

Conference Paper

Spiekermann, G.; Steele-MacInnis, M.; Kowalski, P. M.; Schmidt, C.; Jahn, S. (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 |

Spiekermann, G.; Steele-MacInnis, M.; Kowalski, P. M.; Schmidt, C.; Jahn, S. (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 |

Schmidt, C.; Steele-MacInnis, M.; Wilke, M. (2011): Raman spectroscopic study of zircon to high pressure and temperature. 7th European Conference on Mineralogy and Spectroscopy - ECMS 2011 (Potsdam, Germany 2011), 69.
| EDOC: 17528 |

Spiekermann, G.; Steele-MacInnis, M.; Schmidt, C.; Jahn, S. (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 |

Spiekermann, G.; Steele-MacInnis, M.; Schmidt, C.; Jahn, S. (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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