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Sound velocities of δ‐AlOOH up to core‐mantle boundary pressures with implications for the seismic anomalies in the deep mantle
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journal
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February 2016 |
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The Shapes of Protons in Hydrogen Bonds Depend on the Bond Length
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journal
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September 2005 |
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First principles prediction of a new high-pressure phase of dense hydrous magnesium silicates in the lower mantle: PREDICTION OF A HIGH PRESSURE DHMS PHASE
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journal
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September 2013 |
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Space group and hydrogen sites of ?-AlOOH and implications for a hypothetical high-pressure form of Mg(OH)2
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journal
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July 2004 |
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Observation of pressure-induced phase transition of δ-AlOOH by using single-crystal synchrotron X-ray diffraction method
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journal
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December 2013 |
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A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °C
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journal
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December 2000 |
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Hydrous minerals and the storage of water in the deep mantle
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journal
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December 2015 |
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Pseudopotentials for high-throughput DFT calculations
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journal
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January 2014 |
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EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure applications
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journal
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December 2018 |
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qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems
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journal
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April 2019 |
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cij: A Python code for quasiharmonic thermoelasticity
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journal
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October 2021 |
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Order–disorder phase boundary between ice VII and VIII obtained by first principles
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journal
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October 2010 |
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Stability of a hydrous δ-phase, AlOOH–MgSiO2(OH)2, and a mechanism for water transport into the base of lower mantle
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journal
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September 2014 |
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Phase transitions in MgSiO3 post-perovskite in super-Earth mantles
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journal
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November 2017 |
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Phase stability and thermal equation of state of δ-AlOOH: Implication for water transportation to the Deep Lower Mantle
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journal
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July 2018 |
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Fate of water transported into the deep mantle by slab subduction
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journal
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November 2018 |
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Phase relations in hydrous MORB at 18–28GPa: implications for heterogeneity of the lower mantle
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journal
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June 2005 |
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Elastic properties of δ-AlOOH under pressure: First principles investigation
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journal
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May 2009 |
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Post-stishovite transition in hydrous aluminous SiO2
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journal
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June 2016 |
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Stretching Frequencies as a Function of Distances in Hydrogen Bonds
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journal
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December 1955 |
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Stability field of new hydrous phase, δ-AlOOH, with implications for water transport into the deep mantle
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journal
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October 2001 |
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First principles calculation of a high-pressure hydrous phase, δ-AlOOH: FIRST PRINCIPLES CALCULATION OF δ-ALOOH
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journal
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October 2002 |
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Aluminous hydrous mineral δ -AlOOH as a carrier of hydrogen into the core-mantle boundary
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journal
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January 2008 |
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Tunnelling and zero-point motion in high-pressure ice
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journal
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March 1998 |
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Superionic iron oxide–hydroxide in Earth’s deep mantle
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journal
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March 2021 |
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Direct observation of symmetrization of hydrogen bond in δ-AlOOH under mantle conditions using neutron diffraction
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journal
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October 2018 |
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Crystal structure, equation of state and elasticity of phase H (MgSiO4H2) at Earth’s lower mantle pressures
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journal
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October 2015 |
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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journal
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December 2000 |
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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journal
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December 2000 |
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A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions
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journal
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August 1933 |
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First principles study of hydrogen bond symmetrization in δ-AlOOH
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journal
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March 2018 |
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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journal
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September 2009 |
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Infrared absorption spectra of δ-AlOOH and its deuteride at high pressure and implication to pressure response of the hydrogen bonds
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journal
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March 2010 |
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Absence of proton tunneling during the hydrogen-bond symmetrization in δ − AlOOH
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journal
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September 2021 |
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Self-interaction correction to density-functional approximations for many-electron systems
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journal
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May 1981 |
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Theoretical study of the isostructural transformation in ice VIII
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journal
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January 2005 |
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Nature of the Volume Isotope Effect in Ice
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journal
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October 2015 |
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Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
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Reassigning Hydrogen-Bond Centering in Dense Ice
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journal
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September 2002 |
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Ab initio prediction of an order-disorder transition in Mg 2 Ge O 4 : Implication for the nature of super-Earth's mantles
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journal
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September 2021 |
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Redetermination of the high-pressure modification of AlOOH from single-crystal synchrotron data
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journal
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October 2006 |
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XSEDE: Accelerating Scientific Discovery
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journal
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September 2014 |
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Water in Earth's Mantle: The Role of Nominally Anhydrous Minerals
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journal
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March 1992 |
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Thermal and nuclear quantum effects in the hydrogen bond dynamical symmetrization phase transition of δ-AlOOH [Thermal and nuclear quantum effects in the hydrogen bond dynamical symmetrization phase transition of δ-AlOOH]
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journal
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July 2017 |
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Ordering of hydroxyl defects in hydrous wadsleyite (β-Mg 2 SiO 4 )
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journal
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February 2002 |
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Ab initio study of water speciation in forsterite: Importance of the entropic effect
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journal
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May 2018 |
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Compressional behavior and spin state of δ-(Al,Fe)OOH at high pressures
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journal
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September 2019 |
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Solubility behavior of δ-AlOOH and ε-FeOOH at high pressures
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journal
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October 2019 |
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Cation order and hydrogen bonding of high-pressure phases in the Al2O3-SiO2-H2O system: An NMR and Raman study
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journal
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May 2006 |
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Vibrational properties of -AlOOH under pressure
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journal
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February 2008 |
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Neutron diffraction study of -AlOOD at high pressure and its implication for symmetrization of the hydrogen bond
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journal
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October 2008 |
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Change in compressibility of -AlOOH and -AlOOD at high pressure: A study of isotope effect and hydrogen-bond symmetrization
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journal
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August 2009 |
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A first-principles investigation of hydrous defects and IR frequencies in forsterite: The case for Si vacancies
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journal
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September 2011 |
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Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory
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journal
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January 2010 |
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Structural Study of δ-AlOOH Up to 29 GPa
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journal
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November 2020 |