REPEAT
Electrostatic potential fitted partial atomic charges from periodic DFT calculations. For more details see our original paper: Campañá, C.; Mussard, B.; Woo, T.K.”Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional” Journal of Chemical Theory and Computation, 2009, 5, 2866-2878.
MOFfinder
Web-Based guidance for Metal Organic Frameworks synthesis via an extensive database of Hypophetical MOFs. MOFs search via SBUs, Geometric Features , Functional Groups , Adsorption Properties. Exact, substructure, and similarity search for Organic SBUs via SMILES.
FAPS
MOFIA
Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks. M. Fernandez ,T. K. Woo , C. E. Wilmer and R. Q. Snurr. Journal of Physiscal Chemistry C, 2013, 117 (15), 7681–7689.