Halogen bonding and other σ-hole interactions: a perspective

Halogen Bonding: An Interim Discussion

(2013) Peter Politzer et al.   CHEMPHYSCHEM

Entropy–enthalpy compensation as a fundamental concept and analysis tool for systematical experimental data

(2012) E.B. Starikov et al.   CHEMICAL PHYSICS LETTERS

Halogen Bonding: Where We Are and Where We Are Going

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

Enthalpy and entropy factors in gas phase halogen bonding: compensation and competition

(2012) Peter Politzer et al.   CRYSTENGCOMM

Scalable Anisotropic Shape and Electrostatic Models for Biological Bromine Halogen Bonds

(2012) Megan Carter et al.   Journal of Chemical Theory and Computation

On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds

(2012) Michal Kolář et al.   Journal of Chemical Theory and Computation

Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents

(2012) William L. Jorgensen et al.   Journal of Chemical Theory and Computation

Trends in σ-hole strengths and interactions of F3MX molecules (M = C, Si, Ge and X = F, Cl, Br, I)

(2012) Ashwini Bundhun et al.   JOURNAL OF MOLECULAR MODELING

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

(2012) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

Halogen bonding and beyond: factors influencing the nature of CN–R and SiN–R complexes with F–Cl and Cl2

(2012) Peter Politzer et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

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

σ-Holes

(2012) Timothy Clark   Wiley Interdisciplinary Reviews-Computational Molecular Science

Do nitrogen bases form chlorine-shared and ion-pair halogen bonds?

(2011) Janet E. Del Bene et al.   CHEMICAL PHYSICS LETTERS

Pnicogen Bonds: A New Molecular Linker?

(2011) Stefan Zahn et al.   CHEMISTRY-A EUROPEAN JOURNAL

Fluorine-Centered Halogen Bonding: A Factor in Recognition Phenomena and Reactivity

(2011) Pierangelo Metrangolo et al.   CRYSTAL GROWTH & DESIGN

Role of organic fluorine in crystal engineering

(2011) Deepak Chopra et al.   CRYSTENGCOMM

Hydrogen bond and σ-hole interaction in M2C=S···HCN (M = H, F, Cl, Br, HO, H3C, H2N) complex: Dual roles of C=S group and substitution effect

(2011) Bo Jing et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

On the properties of X⋅⋅⋅N noncovalent interactions for first-, second-, and third-row X atoms

(2011) Steve Scheiner   JOURNAL OF CHEMICAL PHYSICS

Molecular mechanical study of halogen bonding in drug discovery

(2011) Mahmoud A. A. Ibrahim   JOURNAL OF COMPUTATIONAL CHEMISTRY

Polarization-induced σ-holes and hydrogen bonding

(2011) Matthias Hennemann et al.   JOURNAL OF MOLECULAR MODELING

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

(2011) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

σ-Holes, π-holes and electrostatically-driven interactions

(2011) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model

(2011) Yunxiang Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails

(2011) Petr Dobeš et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical and crystallographic data investigations of noncovalent S···O interactions

(2011) Lu Junming et al.   STRUCTURAL CHEMISTRY

Competition of chalcogen bond, halogen bond, and hydrogen bond in SCSHOX and SeCSeHOX (X=Cl and Br) complexes

(2011) Qing-Zhong Li et al.   Computational and Theoretical Chemistry

The electrostatic potential: an overview

(2011) Jane S. Murray et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Directional Weak Intermolecular Interactions: σ-Hole Bonding

(2010) Jane S. Murray et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Directional tendencies of halogen and hydrogen bonds

(2010) Zenaida P. Shields et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density functional study of AgnPd and AgnPdH clusters

(2010) Shuang Zhao et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Average local ionization energy: A review

(2010) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

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

(2010) Marcin Palusiak   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Cooperative and Diminutive Unusual Weak Bonding In F3CX···HMgH···Y and F3CX···Y···HMgH Trimers (X = Cl, Br; Y = HCN, and HNC)

(2010) Mohammad Solimannejad et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Do Traditional, Chlorine-shared, and Ion-pair Halogen Bonds Exist? An ab Initio Investigation of FCl:CNX Complexes

(2010) Janet E. Del Bene et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The halogen bond: an interim perspective

(2010) Anthony C. Legon   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

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

Intramolecular S···O chalcogen bond in thioindirubin

(2010) Oleg V. Shishkin et al.   STRUCTURAL CHEMISTRY

Enhanced detonation sensitivities of silicon analogs of PETN: reaction force analysis and the role of σ–hole interactions

(2010) Jane S. Murray et al.   THEORETICAL CHEMISTRY ACCOUNTS

Binding Mechanisms in Supramolecular Complexes

(2009) Hans-Jörg Schneider   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrostatically driven complexes of SiF4with amines

(2009) Peter Politzer et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Halogen Bonding in Supramolecular Chemistry

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

Theoretical studies on the nature of bonding in σ-hole complexes

(2008) A. Mohajeri et al.   CHEMICAL PHYSICS LETTERS

Halogen bonded supramolecular complexes and networks

(2008) Kari Rissanen   CRYSTENGCOMM

Homoleptic Selenium Cyanides: Attempted Preparation of Se(CN)4and Redetermination of the Crystal Structure of Se(CN)2

(2008) Thomas M. Klapötke et al.   INORGANIC CHEMISTRY

Simultaneous σ-hole and hydrogen bonding by sulfur- and selenium-containing heterocycles

(2008) Jane S. Murray et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation

Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?

(2008) Timothy Clark et al.   JOURNAL OF MOLECULAR MODELING

Expansion of the σ-hole concept

(2008) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

Blue shifts vs red shifts in σ-hole bonding

(2008) Jane S. Murray et al.   JOURNAL OF MOLECULAR MODELING

σ-hole bonding between like atoms; a fallacy of atomic charges

(2008) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING