Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states
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June 2012 |
Control of Aragonite or Calcite Polymorphism by Mollusk Shell Macromolecules
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January 1996 |
Generalized Gradient Approximation Made Simple
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October 1996 |
New metastable form of ice and its role in the homogeneous crystallization of water
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May 2014 |
Theoretical Insights into the Hydrated (10.4) Calcite Surface: Structure, Energetics, and Bonding Relationships
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June 2009 |
In Situ Live Observation of Nucleation and Dissolution of Sodium Chlorate Nanoparticles by Transmission Electron Microscopy
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January 2014 |
Thermodynamics of Calcite Growth: Baseline for Understanding Biomineral Formation
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October 1998 |
First-principles-based calculations of the CaCO 3 -MgCO 3 and CdCO 3 -MgCO 3 subsolidus phase diagrams
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March 2003 |
Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus
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October 1995 |
Vaterite Crystals Contain Two Interspersed Crystal Structures
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April 2013 |
In situ TEM imaging of CaCO3 nucleation reveals coexistence of direct and indirect pathways
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September 2014 |
Influences of T, S and PCO2 on the pseudo-homogeneous precipitation of CaCO3 from seawater: implications for whiting formation
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February 1993 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
The Multiple Structures of Vaterite
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April 2013 |
Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions
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August 2013 |
Stabilization of amorphous calcium carbonate by phosphate rich organic matrix proteins and by single phosphoamino acids
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August 2010 |
What factors determine cation coordination numbers?
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December 1988 |
Polysaccharide chemistry regulates kinetics of calcite nucleation through competition of interfacial energies
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May 2013 |
Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite
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December 2010 |
Template-Dependent Morphogenesis of Oriented Calcite Crystals in the Presence of Magnesium Ions
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April 2005 |
Turning Down the Heat: Design and Mechanism in Solid-State Synthesis
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March 1993 |
New Estimates of the Free Energy of Calcite/Water Interfaces for Evaluating the Equilibrium Shape and Nucleation Mechanisms
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February 2013 |
Stable prenucleation mineral clusters are liquid-like ionic polymers
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September 2011 |
Control of crystal phase switching and orientation by soluble mollusc-shell proteins
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May 1996 |
Keimbildungsgeschwindigkeit und OSTWALDsche Stufenregel
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January 1933 |
Dissolution Enthalpies of Magnesian Calcites
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September 1998 |
The solubility of calcite in seawater solutions of various magnesium concentration, at 25 °C and one atmosphere total pressure
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April 1984 |
Efficient creation and convergence of surface slabs
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November 2013 |
Reconstructing Past Seawater Mg/Ca and Sr/Ca from Mid-Ocean Ridge Flank Calcium Carbonate Veins
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February 2010 |
Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization
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October 2011 |
Nucleation and growth of magnetite from solution
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February 2013 |
Chimie Douce Approaches to the Synthesis of Metastable Oxide Materials
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July 1995 |
Transformation and crystallization energetics of synthetic and biogenic amorphous calcium carbonate
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September 2010 |
Energetic clues to pathways to biomineralization: Precursors, clusters, and nanoparticles
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August 2004 |
Thermodynamics of Carbonates
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January 2013 |
Ostwald’s Rule of Stages and Its Role in CdSe Quantum Dot Crystallization
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October 2012 |
Calcium Carbonate Formation and Dissolution
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February 2007 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Influences of temperature and Mg:Ca ratio on CaCO3 precipitates from seawater
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January 1997 |
Stable Prenucleation Calcium Carbonate Clusters
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December 2008 |
Testing the cation-hydration effect on the crystallization of Ca-Mg-CO3 systems
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October 2013 |
The role of magnesium in the crystal growth of calcite and aragonite from sea water
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April 1975 |
Activity–composition relations in the system CaCO3–MgCO3 predicted from static structure energy calculations and Monte Carlo simulations
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February 2007 |
Mixed calcium-magnesium pre-nucleation clusters enrich calcium
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November 2012 |
Calcite and Aragonite Precipitation Under Controlled Instantaneous Supersaturation: Elucidating the Role of CaCO3 Saturation State and Mg/Ca Ratio on Calcium Carbonate Polymorphism
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June 2009 |
Nanoscale Effects on Thermodynamics and Phase Equilibria in Oxide Systems
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July 2011 |
Ostwald processes and mineral paragenesis in sediments
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June 1988 |
Mechanistic Insights into the Crystallization of Amorphous Calcium Carbonate (ACC)
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May 2012 |
Anthropogenic ocean acidification over the twenty-first century and its impact on calcifying organisms
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September 2005 |
Kinetics of Materials
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book
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September 2005 |
Significance of controlling crystallization mechanisms and kinetics in pharmaceutical systems
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July 1999 |
The Role of Mg2+ as an Impurity in Calcite Growth
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November 2000 |
Studien über die Bildung und Umwandlung fester Körper
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January 1897 |
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
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February 2013 |