Use of ab initio calculations to provide insights into the strength and nature of interfluorine interactions
- 10 January 2008
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 108 (6) , 1083-1089
- https://doi.org/10.1002/qua.21583
Abstract
No abstract availableKeywords
This publication has 40 references indexed in Scilit:
- Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donorsJournal of Molecular Modeling, 2007
- Halogen Bonding: An AIM Analysis of the Weak InteractionsChinese Journal of Chemistry, 2006
- The Nature of Halogen⋅⋅⋅Halogen Synthons: Crystallographic and Theoretical StudiesChemistry – A European Journal, 2006
- Novel self-protective phosphorescence from crystalline nanoparticles assembled by 3-bromo- and 3-iodo-carbazoles based on halogen–halogen interaction in suspension solutionsAnalytica Chimica Acta, 2006
- Ab Initio Study of the Complexes of Halogen‐Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron‐Accepting Propensities of Covalently Bonded Halogen AtomsChemistry – A European Journal, 2004
- Electrostatic Potential at Atomic Sites as a Reactivity Descriptor for Hydrogen Bonding. Complexes of Monosubstituted Acetylenes and AmmoniaThe Journal of Physical Chemistry A, 2002
- Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT StudiesThe Journal of Physical Chemistry A, 2002
- Hal⋯Hal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO–HOMO overlap interactionsJournal of Materials Chemistry, 2001
- Energy Barriers for Alkaline Hydrolysis of Carboxylic Acid Esters in Aqueous Solution by Reaction Field CalculationsThe Journal of Physical Chemistry A, 2000
- Intermolecular interactions from a natural bond orbital, donor-acceptor viewpointChemical Reviews, 1988