On the non-classical contribution in lone-pair–π interaction: IQA perspective

Anion–π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution

(2014) Steven E. Wheeler et al.   CHEMICAL COMMUNICATIONS

Long-Range Effects in Anion-π Interactions: Their Crucial Role in the Inhibition Mechanism ofMycobacterium TuberculosisMalate Synthase

(2014) Antonio Bauzá et al.   CHEMISTRY-A EUROPEAN JOURNAL

Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

(2014) Cina Foroutan-Nejad et al.   CHEMISTRY-A EUROPEAN JOURNAL

Origin of the Thermodynamic Stability of the Polymorph IV of Crystalline Barbituric Acid: Evidence from Solid-State NMR and Electron Density Analyses

(2014) Zahra Badri et al.   CRYSTAL GROWTH & DESIGN

Nature of the water/aromatic parallel alignment interactions

(2014) Mariusz P. Mitoraj et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

On the Importance of Anion-π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase

(2013) Antonio Bauzá et al.   Chemistry-An Asian Journal

Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs

(2013) M. García-Revilla et al.   CHEMPHYSCHEM

On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms

(2013) Vincent Tognetti et al.   JOURNAL OF CHEMICAL PHYSICS

On the Physical Nature of Halogen Bonds: A QTAIM Study

(2013) Olga A. Syzgantseva et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular electrostatics for probing lone pair–π interactions

(2013) Neetha Mohan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Is π halogen bonding or lone pair⋯π interaction formed between borazine and some halogenated compounds?

(2013) Hongying Zhuo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure-Guided Discovery of Phenyl-diketo Acids as Potent Inhibitors of M. tuberculosis Malate Synthase

(2012) Inna V. Krieger et al.   CHEMISTRY & BIOLOGY

Energetic Effects between Halogen Bonds and Anion-π or Lone Pair-π Interactions: A Theoretical Study

(2012) Yunxiang Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Theoretical Characterization of a Lone Pair−π Complex: Water–Hexafluorobenzene

(2012) Jay C. Amicangelo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical and experimental study of lone pair interactions in THF/chloranilic acid system

(2012) Murad A. AlDamen et al.   STRUCTURAL CHEMISTRY

Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones

(2012) Antonio Bauzá et al.   Computational and Theoretical Chemistry

Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond

(2012) D. Hugas et al.   Computational and Theoretical Chemistry

Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

(2011) Laura M. Salonen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase

(2010) Carolina Estarellas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Are Anion/π Interactions Actually a Case of Simple Charge−Dipole Interactions?†

(2010) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental evidence for interactions between anions and electron-deficient aromatic rings

(2009) Orion B. Berryman et al.   CHEMICAL COMMUNICATIONS

Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study

(2009) Miquel Barceló-Oliver et al.   CRYSTENGCOMM

On the Nature of Bonding in Lone Pair···π-Electron Complexes: CCSD(T)/Complete Basis Set Limit Calculations

(2009) Jiong Ran et al.   Journal of Chemical Theory and Computation

Theoretical investigations for the molecular structures and binding energies for C6H6(H2O) n , (n = 1–7) complexes

(2009) Seung-Joon Kim et al.   MOLECULAR PHYSICS

Anion–arene adducts: C–H hydrogen bonding, anion–π interaction, and carbon bonding motifs

(2008) Benjamin P. Hay et al.   CHEMICAL COMMUNICATIONS

Lone pair–π interactions: a new supramolecular bond?

(2008) Tiddo J. Mooibroek et al.   CRYSTENGCOMM

The densities produced by the density functional theory: Comparison to full configuration interaction

(2008) Arteum D. Bochevarov et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio study of substituent effects in the interactions of dimethyl ether with aromatic rings

(2008) Jay C. Amicangelo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anion-π interactions

(2007) Brandi L. Schottel et al.   CHEMICAL SOCIETY REVIEWS

Quantitative Study of Interactions between Oxygen Lone Pair and Aromatic Rings:  Substituent Effect and the Importance of Closeness of Contact

(2007) Benjamin W. Gung et al.   JOURNAL OF ORGANIC CHEMISTRY