Generalized Gradient Approximation Made Simple
|
journal
|
October 1996 |
Water dynamics in hydrated amorphous materials: a molecular dynamics study of the effects of dehydration in amorphous calcium carbonate
|
journal
|
January 2017 |
Hydrogen bonding induced distortion of CO 3 units and kinetic stabilization of amorphous calcium carbonate: results from 2D 13 C NMR spectroscopy
|
journal
|
January 2016 |
Projector augmented-wave method
|
journal
|
December 1994 |
Stability and Structure of Hydrated Amorphous Calcium Carbonate
|
journal
|
October 2015 |
Amorphous CaCO 3 : Influence of the Formation Time on Its Degree of Hydration and Stability
|
journal
|
September 2018 |
Atomic Structure of Biogenic Aragonite
|
journal
|
June 2007 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
|
journal
|
September 1976 |
Nanopore facilitated monohydrocalcitic amorphous calcium carbonate precipitation
|
journal
|
January 2022 |
Pressure-induced crystallization and densification of amorphized calcium carbonate hexahydrate controlled by interfacial water
|
journal
|
April 2022 |
Hydrogen Bonding in Amorphous Calcium Carbonate and Molecular Reorientation Induced by Dehydration
|
journal
|
February 2018 |
Temperature dependence of amorphous magnesium carbonate structure studied by PDF and XAFS analyses
|
journal
|
November 2021 |
Using simulation to understand the structure and properties of hydrated amorphous calcium carbonate
|
journal
|
January 2016 |
Dehydration and crystallization of amorphous calcium carbonate in solution and in air
|
journal
|
January 2014 |
Fourier's Series
|
journal
|
April 1899 |
In situ TEM imaging of CaCO3 nucleation reveals coexistence of direct and indirect pathways
|
journal
|
September 2014 |
From ultrasoft pseudopotentials to the projector augmented-wave method
|
journal
|
January 1999 |
Monitoring a Mechanochemical Reaction Reveals the Formation of a New ACC Defect Variant Containing the HCO 3 – Anion Encapsulated by an Amorphous Matrix
|
journal
|
August 2020 |
Modeling absorption and segregation of magnesium and cadmium ions to calcite surfaces: Introducing MgCO3 and CdCO3 potential models
|
journal
|
March 2000 |
GSAS-II : the genesis of a modern open-source all purpose crystallography software package
|
journal
|
March 2013 |
Subducting carbon
|
journal
|
October 2019 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
|
journal
|
October 2011 |
On the Structure of Amorphous Calcium CarbonateA Detailed Study by Solid-State NMR Spectroscopy
|
journal
|
September 2008 |
Water: How Does It Influence the CaCO 3 Formation?
|
journal
|
November 2019 |
Structural Changes upon Dehydration of Amorphous Calcium Carbonate
|
journal
|
January 2014 |
Toward Carbon-Neutral Concrete through Biochar–Cement–Calcium Carbonate Composites: A Critical Review
|
journal
|
April 2022 |
Current and future perspectives on catalytic-based integrated carbon capture and utilization
|
journal
|
October 2021 |
Formation and Growth of Amorphous Colloidal CaCO 3 Precursor Particles as Detected by Time-Resolved SAXS
|
journal
|
October 2002 |
Dehydration-Induced Amorphous Phases of Calcium Carbonate
|
journal
|
March 2013 |
Calcium Carbonate Precipitation for CO2 Storage and Utilization: A Review of the Carbonate Crystallization and Polymorphism
|
journal
|
July 2017 |
Incorporation Modes of Iodate in Calcite
|
journal
|
April 2018 |
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
|
journal
|
July 2004 |
Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate
|
journal
|
December 2010 |
NMR spectroscopy of citrate in solids: cross-polarization kinetics in weakly coupled systems
|
journal
|
January 2008 |
Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
|
journal
|
October 1980 |
A unified formulation of the constant temperature molecular dynamics methods
|
journal
|
July 1984 |
Trapping Amorphous Intermediates of Carbonates – A Combined Total Scattering and NMR Study
|
journal
|
October 2018 |
Structural Characteristics of Synthetic Amorphous Calcium Carbonate
|
journal
|
July 2008 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
|
journal
|
April 2010 |
Applications of an amorphous silicon-based area detector for high-resolution, high-sensitivity and fast time-resolved pair distribution function measurements
|
journal
|
May 2007 |
Ab Initio Molecular Dynamics Simulations of Amorphous Calcium Carbonate: Interpretation of Pair Distribution Function and X-ray Absorption Spectroscopy Data
|
journal
|
March 2021 |
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
|
journal
|
February 1997 |
Carbonate-coordinated metal complexes precede the formation of liquid amorphous mineral emulsions of divalent metal carbonates
|
journal
|
January 2011 |
Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near‐Neutral pH
|
journal
|
June 2021 |
The structure of monohydrocalcite and the phase composition of the beachrock deposits of Lake Butler and Lake Fellmongery, South Australia
|
journal
|
July 2008 |
A molecular dynamics simulation of a water model with intramolecular degrees of freedom
|
journal
|
January 1987 |
Uncovering the True Atomic Structure of Disordered Materials: The Structure of a Hydrated Amorphous Magnesium Carbonate (MgCO 3 ·3D 2 O)
|
journal
|
April 2014 |
Shape-preserving amorphous-to-crystalline transformation of CaCO 3 revealed by in situ TEM
|
journal
|
February 2020 |
Structure and dynamics of the hydration shells of the Al3+ ion
|
journal
|
March 2007 |
A new method for in situ structural investigations of nano-sized amorphous and crystalline materials using mixed-flow reactors
|
journal
|
August 2019 |
Deep carbon cycle constrained by carbonate solubility
|
journal
|
July 2021 |
Small Ionic Radius Limits Magnesium Water Interaction in Amorphous Calcium/Magnesium Carbonates
|
journal
|
February 2020 |
Chromate Effect on Iodate Incorporation into Calcite
|
journal
|
May 2019 |
Exact and fast calculation of the X-ray pair distribution function
|
journal
|
May 2020 |
The Crystallization of Amorphous Calcium Carbonate is Kinetically Governed by Ion Impurities and Water
|
journal
|
February 2018 |
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
|
journal
|
March 1999 |
Mobility of hydrous species in amorphous calcium/magnesium carbonates
|
journal
|
January 2018 |
Polymorphic transitions in single crystals: A new molecular dynamics method
|
journal
|
December 1981 |
Hydrogen Bonding in Amorphous Alkaline Earth Carbonates
|
journal
|
August 2018 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
|
journal
|
April 2008 |
Nanoporous Structure and Medium-Range Order in Synthetic Amorphous Calcium Carbonate
|
journal
|
May 2010 |
DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
|
journal
|
June 1996 |
Canonical dynamics: Equilibrium phase-space distributions
|
journal
|
March 1985 |
Structural analyses of amorphous calcium carbonate before and after removing strontium ions from an aqueous solution
|
journal
|
February 2022 |
Ab Initio Molecular Dynamics Simulation of Divalent Metal Cation Incorporation in Calcite: Implications for Interpreting X-ray Absorption Spectroscopy Data
|
journal
|
September 2019 |
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
|
journal
|
January 2006 |
Molecular Dynamics Simulations of the Growth Inhibiting Effect of Fe 2+ , Mg 2+ , Cd 2+ , and Sr 2+ on Calcite Crystal Growth
|
journal
|
May 2002 |
Ab initio molecular dynamics simulation of Nd3+ incorporation in calcite
|
journal
|
February 2020 |
Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium stabilised amorphous calcium carbonate
|
journal
|
October 2014 |
Structure and Transformation of Amorphous Calcium Carbonate: A Solid-State 43 Ca NMR and Computational Molecular Dynamics Investigation
|
journal
|
May 2012 |
Free Energy of Adsorption of Water and Metal Ions on the {101̄4} Calcite Surface
|
journal
|
August 2004 |
The nano- and meso-scale structure of amorphous calcium carbonate
|
journal
|
April 2022 |
Phase transitions in biogenic amorphous calcium carbonate
|
journal
|
April 2012 |
Viscosities, excess molar volume of binary mixtures of ethanolamine with water at 303.15, 308.15, 313.15 and 318.15 K
|
journal
|
September 2002 |