## Abstract Quantum chemical calculations have been performed to study the complex of MCNβLiCNβXCCH (M = H, Li, and Na; X = Cl, Br, and I). The aim is to study the cooperative effect between halogen bond and lithium bond. The alkali metal has an enhancing effect on the lithium bond, making it incre
β¦ LIBER β¦
The intermolecular interaction in the charge-transfer complexes between amines and halogens: A theoretical characterization of the trends in halogen bonding
β Scribed by Alfred Karpfen
- Book ID
- 105885571
- Publisher
- Springer
- Year
- 2003
- Tongue
- English
- Weight
- 255 KB
- Volume
- 110
- Category
- Article
- ISSN
- 1432-2234
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## Abstract A procedure is given to derive an explicit chargeβtransfer contribution from the MurrellβRandicβWilliams formula, and to implement it in the framework of an additive procedure for the computation of intermolecular interaction energies, as a sum of electrostatic, repulsion, polarization,