Halogen as halogen-bonding donor and hydrogen-bonding acceptor simultaneously in ring-shaped H3N·X(Y)·HF (X = Cl, Br and Y = F, Cl, Br) Complexes

Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X=D,T) level of theory for evaluating the BSSE in ion–π complexes

(2010) Carolina Estarellas et al.   CHEMICAL PHYSICS LETTERS

Halogen and hydrogen bonding to the Br atom in complexes of FBr

(2010) Sean A. C. McDowell   JOURNAL OF CHEMICAL PHYSICS

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

(2010) Marcin Palusiak   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Competition between hydrogen bond and halogen bond in complexes of formaldehyde with hypohalous acids

(2010) Qingzhong Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Red- and Blue-Shifted Hydrogen Bonds in theCis-TransNoncyclic Formic Acid Dimer

(2009) Pan-Pan Zhou et al.   CHEMPHYSCHEM

Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data

(2009) Michal Pitoňák et al.   CHEMPHYSCHEM

Halogen bonding: Recent advances

(2009) Marc Fourmigué   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Halogen Bonded Supramolecular Assemblies of [Ru(bipy)(CN)4]2−Anions andN-Methyl-Halopyridinium Cations in the Solid State and in Solution

(2009) Sofia Derossi et al.   INORGANIC CHEMISTRY

Hydrogen Bonding, Electrostatic Potential, and Molecular Design

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

Topological analysis of aromatic halogen/hydrogen bonds by electron charge density and electrostatic potentials

(2009) Darío J. R. Duarte et al.   JOURNAL OF MOLECULAR MODELING

Steric Effect: Partitioning in Atomic and Functional Group Contributions

(2009) Miquel Torrent-Sucarrat et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Unusual Properties of Halogen Bonds: A Detailed ab Initio Study of X2−(H2O)1−5clusters (X = Cl and Br)

(2009) Margarita I. Bernal-Uruchurtu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Red-Shifted Hydrogen Bonds and Blue-Shifted van der Waals Contact in the Standard Watson−Crick Adenine−Thymine Base Pair

(2009) Pan-Pan Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Halogen bonds as orthogonal molecular interactions to hydrogen bonds

(2009) Andrea Regier Voth et al.   Nature Chemistry

Cooperativity in multiple unusual weak bonds

(2009) Ibon Alkorta et al.   THEORETICAL CHEMISTRY ACCOUNTS

Electron Donation in the Water-Water Hydrogen Bond

(2008) Rustam Z. Khaliullin et al.   CHEMISTRY-A EUROPEAN JOURNAL

Cooperativity between the Halogen Bond and the Hydrogen Bond in H3N⋅⋅⋅XY⋅⋅⋅HF Complexes (X, Y=F, Cl, Br)

(2008) Qingzhong Li et al.   CHEMPHYSCHEM

Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals

(2008) Rustam Z. Khaliullin et al.   JOURNAL OF CHEMICAL PHYSICS

Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases

(2008) Ibon Alkorta et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Stepwise Mechanism for the Mechanochemical Synthesis of Halogen-Bonded Cocrystal Architectures

(2008) Dominik Cinčić et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CHEMISTRY: Halogen Versus Hydrogen

(2008) P. Metrangolo et al.   SCIENCE

Isostructural Materials Achieved by Using Structurally Equivalent Donors and Acceptors in Halogen-Bonded Cocrystals

(2007) Dominik Cinčić et al.   CHEMISTRY-A EUROPEAN JOURNAL