# Category:Computational Chemistry and Modeling

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## Pages in category "Computational Chemistry and Modeling"

The following 17 pages are in this category, out of 17 total.

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- Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings
- Electron-phonon coupling and polaron mobility in hybrid perovskites from first-principles
- Ethynamine - Ketenimine - Acetonitrile - Rearrangements: A computational Study of Flash Vacuum Pyrolysis Processes
- Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model

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