A new structural model for disorder in vaterite from first-principles calculations

Microtwinning hypothesis for a more ordered vaterite model

(2011) A. Le Bail et al.   POWDER DIFFRACTION

Proto-Calcite and Proto-Vaterite in Amorphous Calcium Carbonates

(2010) Denis Gebauer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Performance of 12 DFT functionals in the study of crystal systems: Al2SiO5 orthosilicates and Al hydroxides as a case study

(2010) Raffaella Demichelis et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The kinetics and mechanisms of amorphous calcium carbonate (ACC) crystallization to calcite, viavaterite.

(2010) Juan Diego Rodriguez-Blanco et al.   Nanoscale

Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite

(2010) D. Spagnoli et al.   PHYSICAL REVIEW B

Transformation and crystallization energetics of synthetic and biogenic amorphous calcium carbonate

(2010) A. V. Radha et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure and carbonate orientation of vaterite (CaCO3)

(2009) J. Wang et al.   AMERICAN MINERALOGIST

The ikaite-to-vaterite transformation: new evidence from diffraction and imaging

(2009) C. C. Tang et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Ground state structure ofBaZrO3: A comparative first-principles study

(2009) Ante Bilić et al.   PHYSICAL REVIEW B

Calcium-43 Chemical Shift Tensors as Probes of Calcium Binding Environments. Insight into the Structure of the Vaterite CaCO3Polymorph by43Ca Solid-State NMR Spectroscopy

(2008) David L. Bryce et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS