Skip to main content

Characterization and Molecular Modeling of Chelsea Humic Acid and Lanchine Kerogen

EMSL Project ID
1447
Award DOI
https://dx.doi.org/10.46936/genr.proj.1999.1447/60001899

Project Details

Project type
Exploratory Research
Start Date
1999-01-26
End Date
2002-09-09
Status
Closed
Released Data Link
https://search.emsl.pnnl.gov/?project_id_search=1447

Team

Principal Investigator

Mamadou Diallo
Institution
California Institute of Technology

Related Publications

Bryantsev VS, MS Diallo, AC van Duin, and WA Goddard, III. 2009. "Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters." Journal of Chemical Theory and Computation 5(4):1016-1026. doi:10.1021/ct800549f
Diallo MS, A Simpson, PL Gassman, JL Faulon, JH Johnson, Jr., WA Goddard, III, and PG Hatcher. 2003. "3-D Structural Modeling of Humic Acids through Experimental Characterization, Computer Assisted Structure Elucidation and Atomistic Simulations. 1. Chelsea Soil Humic Acid." Environmental Science and Technology 37(9):1783-1793.