Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding
Abstract
Calculated molecular electrostatic potential difference (ΔMEP) of acceptor atoms in a multi component system will lead to different supramolecular architectures.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2016
- Source ID
- 10.1039/c6ce02089e
Entities
People
- A. S. Sinha
- C. B. Aakeröy
- J. Desper
- M. D. Perera
Organizations
- Army Research Office
- Kansas State University
- United States Army
- Yusuf Hamied Department of Chemistry