Covalency in resonance-assisted halogen bonds demonstrated with cooperativity in N-halo-guanine quartets

Sigma-hole cooperativity in anionic [FX⋯CH3⋯YF]− (X, Y=Cl, Br) complexes

(2014) Sean A.C. McDowell   CHEMICAL PHYSICS LETTERS

Cooperativity of Halogen, Chalcogen, and Pnictogen Bonds in Infinite Molecular Chains by Electronic Structure Theory

(2014) Janine George et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling Systems

(2014) Xin Cindy Yan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Changing Weak Halogen Bonds into Strong Ones through Cooperativity with Beryllium Bonds

(2014) Laura Albrecht et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances

(2013) Arri Priimagi et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

(2013) Sergiy V. Rosokha et al.   CHEMISTRY-A EUROPEAN JOURNAL

Halogen Bonding: An Interim Discussion

(2013) Peter Politzer et al.   CHEMPHYSCHEM

Are Halogen Bonded Structures Electrostatically Driven?

(2013) Anthony J. Stone   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies

(2013) E. J. Baerends et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the directionality of halogen bonding

(2013) Stefan M. Huber et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen bonding and other σ-hole interactions: a perspective

(2013) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The influence of substituent effect on noncovalent interactions in ternary complexes stabilized by hydrogen-bonding and halogen-bonding

(2013) Małgorzata Domagała et al.   Computational and Theoretical Chemistry

The Pnicogen Bond: Its Relation to Hydrogen, Halogen, and Other Noncovalent Bonds

(2012) Steve Scheiner   ACCOUNTS OF CHEMICAL RESEARCH

Unexpected trends in halogen-bond based noncovalent adducts

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

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 for rational drug design and new drug discovery

(2012) Yunxiang Lu et al.   Expert Opinion on Drug Discovery

Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

(2012) Rainer Wilcken et al.   JOURNAL OF MEDICINAL CHEMISTRY

Halogen Bonding in DNA Base Pairs

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

Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization

(2012) Robert W. Góra et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dimers and trimers of formamidine and its mono-halogenated analogues HNCHNHX, (X=H, Cl, Br, or I): A comparative study of resonance-assisted hydrogen and halogen bonds

(2012) Ruben D. Parra   Computational and Theoretical Chemistry

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

(2012) Lando P. Wolters et al.   ChemistryOpen

Telomere Structure and Stability: Covalency in Hydrogen Bonds, Not Resonance Assistance, Causes Cooperativity in Guanine Quartets

(2011) Célia Fonseca Guerra et al.   CHEMISTRY-A EUROPEAN JOURNAL

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Halogen bonding: a general route in anion recognition and coordination

(2010) Gabriella Cavallo et al.   CHEMICAL SOCIETY REVIEWS

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

(2010) Marcin Palusiak   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†

(2010) Rafał Kurczab et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Introduction of 3′-Terminal Nucleosides Having a Silyl-Type Linker into Polymer Supports without Base Protection

(2009) Akihiro Ohkubo et al.   JOURNAL OF ORGANIC CHEMISTRY

Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior

(2009) Célia Fonseca Guerra et al.   THEORETICAL CHEMISTRY ACCOUNTS

Cooperativity in multiple unusual weak bonds

(2009) Ibon Alkorta et al.   THEORETICAL CHEMISTRY ACCOUNTS

Galloylated Catechins as Potent Inhibitors of Hypochlorous Acid-induced DNA Damage

(2008) Yoshichika Kawai et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Combining metals with halogen bonds

(2008) Lee Brammer et al.   CRYSTENGCOMM

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 computational study of the cooperativity in clusters of interhalogen derivatives

(2008) Ibon Alkorta et al.   STRUCTURAL CHEMISTRY

QUILD: QUantum-regions interconnected by local descriptions

(2007) Marcel Swart et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY