The effect of Mg2+ incorporation on the structure of calcium carbonate clusters: investigation by the anharmonic downward distortion following method

1,4-Dithiine—Puckered in the Gas Phase but Planar in Crystals: Role of Cooperativity

(2015) Saied Md Pratik et al.   Journal of Physical Chemistry C

Anharmonic Downward Distortion Following for Automated Exploration of Quantum Chemical Potential Energy Surfaces

(2014) Satoshi Maeda et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Pre-nucleation clusters as solute precursors in crystallisation

(2014) Denis Gebauer et al.   CHEMICAL SOCIETY REVIEWS

Diversity of the Dimer Structures of Toluene: Exploration by the GRRM Method

(2014) Kio Omori et al.   CHEMISTRY LETTERS

Exploring Water Catalysis in the Reaction of Thioformic Acid with Hydroxyl Radical: A Global Reaction Route Mapping Perspective

(2014) Gurpreet Kaur et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cooperativity in a New Role: Stabilization of the Ammonium Salts in the Solid State over Their H-Bonded Complexes in the Gas Phase

(2014) Saied Md. Pratik et al.   Journal of Physical Chemistry C

New Insight into the Stability of CaCO3 Surfaces and Nanoparticles via Molecular Simulation

(2014) A. Matthew Bano et al.   LANGMUIR

General model for calcite growth kinetics in the presence of impurity ions

(2013) Laura C. Nielsen et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method

(2013) Satoshi Maeda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

(2013) A. F. Wallace et al.   SCIENCE

Ion-association complexes unite classical and non-classical theories for the biomimetic nucleation of calcium phosphate

(2013) Wouter J. E. M. Habraken et al.   Nature Communications

Calcium Carbonate Polyamorphism and Its Role in Biomineralization: How Many Amorphous Calcium Carbonates Are There?

(2012) Julyan H. E. Cartwright et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mimicking the Initial Development of Calcium Urolithiasis by Screening Calcium Oxalate and Calcium Phosphate Phases in Various Urinelike Solutions, Time Points, and pH Values at 37 °C

(2011) Tu Lee et al.   CRYSTAL GROWTH & DESIGN

Sampling the structure of calcium carbonate nanoparticles with metadynamics

(2011) D. Quigley et al.   JOURNAL OF CHEMICAL PHYSICS

Onset of Amorphous Structure in CaCO3: Geometric and Electronic Structures of (CaCO3) n (n = 2–7) Clusters by Ab Initio Calculations

(2011) Víctor M. Rosas-García et al.   JOURNAL OF CLUSTER SCIENCE

Prenucleation clusters and non-classical nucleation

(2011) Denis Gebauer et al.   Nano Today

Stable prenucleation mineral clusters are liquid-like ionic polymers

(2011) Raffaella Demichelis et al.   Nature Communications

Quantum Chemistry of C3H6O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing Mechanisms†

(2010) Munusamy Elango et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Investigation of the Reaction Pathway of O Atom on Si(001)-(2 × 1)

(2010) Shin-ya Ohno et al.   Journal of Physical Chemistry C

Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate

(2010) Paolo Raiteri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biomimetic Gallstone Formation: Crystallization of Calcium Carbonate by the Evolving Taurocholate−Lecithin−Cholesterol Complex Lipid System

(2009) Tu Lee et al.   CRYSTAL GROWTH & DESIGN

A Molecular Dynamics Study of the Early Stages of Calcium Carbonate Growth

(2009) Gareth A. Tribello et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Initial Stages of Template-Controlled CaCO3 Formation Revealed by Cryo-TEM

(2009) E. M. Pouget et al.   SCIENCE

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Free energy and structure of calcium carbonate nanoparticles during early stages of crystallization

(2008) D. Quigley et al.   JOURNAL OF CHEMICAL PHYSICS

Stable Prenucleation Calcium Carbonate Clusters

(2008) Denis Gebauer et al.   SCIENCE