Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding

The Halogen Bond

(2016) Gabriella Cavallo et al.   CHEMICAL REVIEWS

Three-dimensional hierarchical 2,2,4,4,6,6-hexanitrostilbene crystalline clusters prepared by controllable supramolecular assembly and deaggregation process

(2016) Hongli Zhang et al.   CRYSTENGCOMM

Crystal engineering in 3D: converting nanoscale lamellar manganese oxide to cubic spinel while affixed to a carbon architecture

(2016) Martin D. Donakowski et al.   CRYSTENGCOMM

On the predictability of supramolecular interactions in molecular cocrystals – the view from the bench

(2016) Mérina K. Corpinot et al.   CRYSTENGCOMM

Probing Molecular Recognition at the Solid–Gas Interface by Sum-Frequency Vibrational Spectroscopy

(2016) Arianna Aprile et al.   Journal of Physical Chemistry Letters

Halogen Bonding Molecular Capsules

(2015) Oliver Dumele et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Halogen Bonding in Supramolecular Chemistry

(2015) Lydia C. Gilday et al.   CHEMICAL REVIEWS

Comparative Study of Halogen- and Hydrogen-Bond Interactions between Benzene Derivatives and Dimethyl Sulfoxide

(2015) Yan-Zhen Zheng et al.   CHEMPHYSCHEM

Designation and Exploration of Halide–Anion Recognition Based on Cooperative Noncovalent Interactions Including Hydrogen Bonds and Anion−π

(2015) Yan-Zhi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization

(2015) Stefan H. Jungbauer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular electrostatic potential dependent selectivity of hydrogen bonding

(2015) Christer B. Aakeröy et al.   NEW JOURNAL OF CHEMISTRY

A systematic structural study of halogen bondingversushydrogen bonding within competitive supramolecular systems

(2015) Christer B. Aakeröy et al.   IUCrJ

Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different

(2014) Arijit Mukherjee et al.   ACCOUNTS OF CHEMICAL RESEARCH

Selective Host Molecules Obtained by Dynamic Adaptive Chemistry

(2014) Mihaela Matache et al.   CHEMISTRY-A EUROPEAN JOURNAL

Revealing the Polarizability of Organic Fluorine in the Trifluoromethyl Group: Implications in Supramolecular Chemistry

(2014) Venkatesha R. Hathwar et al.   CRYSTAL GROWTH & DESIGN

On The Nature of the Halogen Bond

(2014) Changwei Wang et al.   Journal of Chemical Theory and Computation

Practical crystal engineering using halogen bonding: A hierarchy based on calculated molecular electrostatic potential surfaces

(2014) Christer B. Aakeröy et al.   JOURNAL OF MOLECULAR STRUCTURE

Organocatalysis by Neutral Multidentate Halogen-Bond Donors

(2013) Florian Kniep et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder

(2013) Christer B. Aakeröy et al.   CRYSTAL GROWTH & DESIGN

Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles

(2013) Nicholas G. White et al.   CRYSTENGCOMM

Halogen Interactions in Protein–Ligand Complexes: Implications of Halogen Bonding for Rational Drug Design

(2013) Suman Sirimulla et al.   Journal of Chemical Information and Modeling

Hydrogen-bonds in molecular solids – from biological systems to organic electronics

(2013) Eric Daniel Głowacki et al.   Journal of Materials Chemistry B

5-Iodo-1,2,3-triazolium-based multidentate halogen-bond donors as activating reagents

(2012) Florian Kniep et al.   CHEMICAL COMMUNICATIONS

4,4′-Azobis(halopyridinium) Derivatives: Strong Multidentate Halogen-Bond Donors with a Redox-Active Core

(2012) Florian Kniep et al.   CHEMISTRY-A EUROPEAN JOURNAL

Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy

(2012) Christer B. Aakeröy et al.   CRYSTAL GROWTH & DESIGN

Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds

(2011) Christer B. Aakeröy et al.   CRYSTAL GROWTH & DESIGN

Mechanical properties of molecular crystals—applications to crystal engineering

(2010) C. Malla Reddy et al.   CRYSTENGCOMM

Oxime Decorated Cavitands Functionalized through Solvent-Assisted Grinding

(2010) Christer B. Aakeröy et al.   ORGANIC LETTERS

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

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

Hydrogen Bonding, Electrostatic Potential, and Molecular Design

(2009) Peter W. Kenny   Journal of Chemical Information and Modeling

Halogen bonds as orthogonal molecular interactions to hydrogen bonds

(2009) Andrea Regier Voth et al.   Nature Chemistry

The deprotonative metalation of [1,2,3]triazolo[1,5-a]quinoline. Synthesis of 8-haloquinolin-2-carboxaldehydes

(2009) Rafael Ballesteros-Garrido et al.   TETRAHEDRON

Halogen-Bonded Supramolecular Assemblies Based on Phenylethynyl Pyridine Derivatives: Driving Crystal Packing through Systematic Chemical Modifications

(2008) Tanya Shirman et al.   CRYSTAL GROWTH & DESIGN

[1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring–chain isomerization

(2008) Fernando Blanco et al.   TETRAHEDRON