Characterization and Molecular Modeling of Chelsea Humic Acid and Lanchine Kerogen
EMSL Project ID
1447
Project Details
Project type
Exploratory Research
Start Date
1999-01-26
End Date
2002-09-09
Status
Closed
Released Data Link
Team
Principal Investigator
Related Publications
Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters
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