Halogen bonding in the framework of classical force fields: The case of chlorine

Article ID	Journal	Published Year	Pages	File Type
10998125	Chemical Physics Letters	2018	26 Pages	PDF

Keywords

ESP PDB BSSE RRMs VSCC GGA DFT QM/MM vdW basis set superposition error Root mean square error Molecular mechanics Quantum mechanics Quantum mechanics/molecular mechanics general amber force field Density functional theory Halogen Van der Waals Resp Electrostatic potential Protein Data Bank Halogen bonding Hydrogen bonding GAFF

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

Halogen bonding in the framework of classical force fields: The case of chlorine

Authors

Davide Franchini, Federico Dapiaggi, Stefano Pieraccini, Alessandra Forni, Maurizio Sironi,