The Prominent Enhancing Effect of the Cation-π Interaction on the Halogen-Hydride Halogen Bond in M1⋅⋅⋅C6H5X⋅⋅⋅HM2

Directional Weak Intermolecular Interactions: σ-Hole Bonding

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

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes

(2010) Xun Li et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

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

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

Theoretical study of halogen–hydride halogen bonds in F3CL ··· HM (L=Cl, Br; M=Li, BeH, MgH) complexes

(2010) Qingzhong Li et al.   MOLECULAR PHYSICS

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

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

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

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

Theoretical Study of the Interplay between Lithium Bond and Hydrogen Bond in Complexes Involved with HLi and HCN

(2009) Qingzhong Li et al.   CHEMPHYSCHEM

Halogen BondingA Novel Interaction for Rational Drug Design?

(2009) Yunxiang Lu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Theoretical study of halogen bonding between FnH3−nCBr (n=0, 1, 2, 3) and HMgH

(2009) Qingzhong Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Experimental and Theoretical Study of the Br···N Halogen Bond in Complexes of 1,4-Dibromotetrafluorobenzene with Dipyridyl Derivatives

(2009) Alessandra Forni   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

Nonporous Organic Solids Capable of Dynamically Resolving Mixtures of Diiodoperfluoroalkanes

(2009) P. Metrangolo et al.   SCIENCE

Cooperativity in multiple unusual weak bonds

(2009) Ibon Alkorta et al.   THEORETICAL CHEMISTRY ACCOUNTS

Halogen Bonding in Supramolecular Chemistry

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

Interplay between cation-π and hydrogen bonding interactions

(2008) Daniel Escudero et al.   CHEMICAL PHYSICS LETTERS

Cooperativity between the Dihydrogen Bond and the N⋅⋅⋅HC Hydrogen Bond in LiH-(HCN)nComplexes

(2008) Qing-Zhong Li et al.   CHEMPHYSCHEM

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

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

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

Cooperativity between two types of hydrogen bond in H3C–HCN–HCN and H3C–HNC–HNC complexes

(2008) Qingzhong Li et al.   JOURNAL OF CHEMICAL PHYSICS

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

Non-additivity of methyl group in the single-electron halogen bond of CH3–BrH complex

(2008) Qingzhong Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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

On the Cooperativity of Cation−π and Hydrogen Bonding Interactions

(2008) Dolly Vijay et al.   JOURNAL OF PHYSICAL CHEMISTRY B