Force field models in halogen bonding
Halogen bonding schemes have been proposed to replace those of hydrogen bonding in biomolecules, such as proteins and DNA, because halogens can counter-intuitively attract a Lewis base. Unlike hydrogen bonding, halogen bonding strength is dependent on a number of factors, such as electrostatics, exchange repulsion, dispersion, and charge transfer. Understanding the underlying energetic components of halogen bonding at a fundamental level, defined herein to mean the subatomic level, is necessary to utilize halogen bonding in a biomolecular context. Our aspiration throughout this research has not ...
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