Search Results - "Hirsch, Tomas K."
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Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies
Published in The journal of physical chemistry. B (07-10-2004)“…The different possible proton-ordered structures of ice Ih for an orthorombic unit cell with 8 water molecules were derived. The number of unique structures…”
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Hydrogen-bond topology and the ice VII/VIII and ice Ih/XI proton-ordering phase transitions
Published in Physical review letters (08-04-2005)“…The existence of an ice Ih/XI proton-ordering transition to a low-temperature ferroelectric phase has sparked considerable debate in the literature. Electronic…”
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Hydrogen bond topology and the ice VII/VIII and Ih/XI proton ordering phase transitions
Published in Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics (01-05-2006)“…Ice Ih, ordinary ice at atmospheric pressure, is a proton-disordered crystal that when cooled under special conditions is believed to transform to…”
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Structural investigations of natural and synthetic chlorite minerals by X-ray diffraction, Mössbauer spectroscopy and solid-state nuclear magnetic resonance
Published in Clays and clay minerals (01-04-2006)“…The structures of one synthetic and two natural chlorites of the chlinochlore type were explored using X-ray diffraction, magic-angle spinning nuclear magnetic…”
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An investigation of H-atom positions in sulfuric acid crystal structures
Published in Acta crystallographica. Section B, Structural science (01-04-2004)“…Hydrogen conformations in crystalline H2SO4·8H2O and H2SO4·6.5H2O have been studied using a system developed by Hirsch [(2003), Z. Anorg. Allg. Chem.629,…”
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Hydrogen-Bond Topology and the Ice VII / VIII and Ice I h / XI Proton-Ordering Phase Transitions
Published in Physical review letters (01-04-2005)Get full text
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A System for Tracking Down Hydrogen Positions in Crystal Structures
Published in Zeitschrift für anorganische und allgemeine Chemie (1950) (01-04-2003)“…Hydrogen conformations in [Ta6Br12(H2O)6]X2 · trans — [Ta6Br12(OH)4(H2O)2] · 18H2O (X = Cl or Br), [Ta6Br12(H2O)6]8 · (ZnBr4)8 · 96H2O, Na6[RuO2{TeO4(OH)2}2] ·…”
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