Experimental and Computational Probes of the Nature of Halogen Bonding: Complexes of Bromine-Containing Molecules with Bromide Anions

Unexpected trends in halogen-bond based noncovalent adducts

(2012) Stefan M. Huber et al.   CHEMICAL COMMUNICATIONS

A new class of halogen bonds that avoids the σ-hole

(2012) Yu Zhang et al.   CHEMICAL PHYSICS LETTERS

Halogen bonding in solution

(2012) Máté Erdélyi   CHEMICAL SOCIETY REVIEWS

Halogen bonding in solution: thermodynamics and applications

(2012) Thomas M. Beale et al.   CHEMICAL SOCIETY REVIEWS

Halogen Bonding between Anions and Iodoperfluoroorganics: Solution-Phase Thermodynamics and Multidentate-Receptor Design

(2012) Mohammed G. Sarwar et al.   CHEMISTRY-A EUROPEAN JOURNAL

Halogen Bonding from a Hard and Soft Acids and Bases Perspective: Investigation by Using Density Functional Theory Reactivity Indices

(2012) Balazs Pinter et al.   CHEMISTRY-A EUROPEAN JOURNAL

Halogen Bonding: Where We Are and Where We Are Going

(2012) Pierangelo Metrangolo et al.   CRYSTAL GROWTH & DESIGN

Factors Controlling Asymmetrization of the Simplest Linear I3– and I42– Polyiodides with Implications for the Nature of Halogen Bonding

(2012) Gabriele Manca et al.   CRYSTAL GROWTH & DESIGN

Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal–Bromide Complexes

(2012) Sergiy V Rosokha et al.   CRYSTAL GROWTH & DESIGN

An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level

(2012) R. Julian Azar et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

(2012) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Correlations between Computation and Experimental Thermodynamics of Halogen Bonding

(2012) Michael G. Chudzinski et al.   JOURNAL OF ORGANIC CHEMISTRY

Halogen Bonding in DNA Base Pairs

(2012) Anna J. Parker et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)

(2012) Peter Politzer et al.   Computational and Theoretical Chemistry

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

(2012) Lando P. Wolters et al.   ChemistryOpen

The Diiodine Basicity Scale: Toward a General Halogen-Bond Basicity Scale

(2011) Christian Laurence et al.   CHEMISTRY-A EUROPEAN JOURNAL

Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal

(2011) Julien Lieffrig et al.   CRYSTAL GROWTH & DESIGN

Assaying the Energies of Biological Halogen Bonds

(2011) Megan Carter et al.   CRYSTAL GROWTH & DESIGN

Strong halogen bonding of 1,2-diiodoperfluoroethane and 1,6-diiodoperfluorohexane with halide anions revealed by UV-Vis, FT-IR, NMR spectroscopes and crystallography

(2011) Qian Jin Shen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unexpected “amphoteric” character of the halogen bond: the charge density study of the co-crystal of N-methylpyrazine iodide with I2

(2010) Yulia V. Nelyubina et al.   CHEMICAL COMMUNICATIONS

Halogen bonding: a general route in anion recognition and coordination

(2010) Gabriella Cavallo et al.   CHEMICAL SOCIETY REVIEWS

Halogen Atoms in the Modern Medicinal Chemistry: Hints for the Drug Design

(2010) Marcelo Hernandes et al.   CURRENT DRUG TARGETS

On the nature of halogen bond – The Kohn–Sham molecular orbital approach

(2010) Marcin Palusiak   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Novel Halogen-Bonded Complexes H3NBH3···XY (XY = ClF, ClCl, BrF, BrCl, and BrBr): Partially Covalent Character

(2010) Xiulin An et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermodynamics of Halogen Bonding in Solution: Substituent, Structural, and Solvent Effects

(2010) Mohammed G. Sarwar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The halogen bond: an interim perspective

(2010) Anthony C. Legon   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

(2010) Yunxiang Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Non-covalent interactions between iodo-perfluorocarbons and hydrogen bond acceptors

(2009) Rafel Cabot et al.   CHEMICAL COMMUNICATIONS

OLEX2: a complete structure solution, refinement and analysis program

(2009) Oleg V. Dolomanov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Halogen Bonding: A Study based on the Electronic Charge Density

(2009) Nancy J. Martinez Amezaga et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fresh Look at Electron-Transfer Mechanisms via the Donor/Acceptor Bindings in the Critical Encounter Complex

(2008) Sergiy V. Rosokha et al.   ACCOUNTS OF CHEMICAL RESEARCH

Halogen Bonding in Supramolecular Chemistry

(2008) Pierangelo Metrangolo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Halogen bonded supramolecular complexes and networks

(2008) Kari Rissanen   CRYSTENGCOMM

Unusual structural effects of intermolecular π-bonding in the tetracyanopyrazine (ion-radical) dimer

(2008) Sergiy V. Rosokha et al.   NEW JOURNAL OF CHEMISTRY

Crystal packing of TCNQ anion π-radicals governed by intermolecular covalent π–π bonding: DFT calculations and statistical analysis of crystal structures

(2008) Jingsong Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CHEMISTRY: Halogen Versus Hydrogen

(2008) P. Metrangolo et al.   SCIENCE