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Ab Initio Dynamics of Reactions in Solution

EMSL Project ID
1915
Award DOI
https://dx.doi.org/10.46936/genr.proj.2000.1915/60002509

Project Details

Project type
Exploratory Research
Start Date
2000-02-07
End Date
2001-09-30
Status
Closed
Released Data Link
https://search.emsl.pnnl.gov/?project_id_search=1915

Team

Principal Investigator

Misako Aida
Institution
Hiroshima University

Related Publications

Sebastien N. Kerisit, Sebastian T. Mergelsberg, Micah P. Prange. 2021. "Ab Initio Molecular Dynamics Simulations of Amorphous Calcium Carbonate: Interpretation of Pair Distribution Function and X-ray Absorption Spectroscopy Data." Crystal Growth & Design 21 (4):2212-2221. https://dx.doi.org/10.1021/acs.cgd.0c01655
Trent R. Graham, Sebastien N. Kerisit, Sebastian T. Mergelsberg, Micah P. Prange, Shawn L. Riechers. 2021. "Effect of Cd on the Nucleation and Transformation of Amorphous Calcium Carbonate." Crystal Growth & Design 21 (6):3384-3393. https://doi.org/10.1021/acs.cgd.1c00169