A sobering assessment of small‐molecule force field methods for low energy conformer predictions
Ilana Y. Kanal(University of Pittsburgh), Geoffrey Hutchison(University of Pittsburgh), John A. Keith(Princeton University)
Cited by 97
Related Papers
Open Babel: An open chemical toolbox
|Journal of Cheminformatics|2011|11k
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
|Journal of Cheminformatics|2012|10.3k
Hopping Transport in Conductive Heterocyclic Oligomers: Reorganization Energies and Substituent Effects
|Journal of the American Chemical Society|2005|740
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
|Chemistry Central Journal|2008|452
Intermolecular Charge Transfer between Heterocyclic Oligomers. Effects of Heteroatom and Molecular Packing on Hopping Transport in Organic Semiconductors
|Journal of the American Chemical Society|2005|428