Regular/abnormal variation in the strength and nature of the halogen bond between H 2 Te and the dihalogens: Prominent effect of methyl substituents

Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?

(2019) Arpita Varadwaj et al.   MOLECULES

Comparison between Hydrogen and Halogen Bonds in Complexes of 6‐OX‐Fulvene with Pnicogen and Chalcogen Electron Donors

(2019) Mingchang Hou et al.   CHEMPHYSCHEM

A Computational Study of Chalcogen-containing H2 X…YF and (CH3 )2 X…YF (X=O, S, Se; Y=F, Cl, H) and Pnicogen-containing H3 X′…YF and (CH3 )3 X′…YF (X′=N, P, As) Complexes

(2018) Sean A. C. McDowell et al.   CHEMPHYSCHEM

The effect of anions on noncovalent interactions in model clusters of chalcogen-containing (CH3)2X (X = O, S, Se) molecules

(2018) Sean A. C. McDowell   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Few-layer Tellurium: one-dimensional-like layered elementary semiconductor with striking physical properties

(2018) Jingsi Qiao et al.   Science Bulletin

Buckyball Difluoride F2 − @C60 + -A Single-Molecule Crystal

(2018) Cina Foroutan-Nejad et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding

(2017) Sergiy V. Rosokha   FARADAY DISCUSSIONS

Looking Back, Looking Forward at Halogen Bonding in Drug Discovery

(2017) Lois Mendez et al.   MOLECULES

Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding

(2017) Sergiy V. Rosokha   FARADAY DISCUSSIONS

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

(2016) Michal H. Kolář et al.   CHEMICAL REVIEWS

Building a Better Halide Receptor: Optimum Choice of Spacer, Binding Unit, and Halosubstitution

(2016) Binod Nepal et al.   CHEMPHYSCHEM

Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives

(2016) Paulina I. Hidalgo et al.   CRYSTENGCOMM

Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy

(2016) Robert A. Shaw et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Halogen-Bonding-Assisted Iodosylbenzene Activation by a Homogenous Iron Catalyst

(2015) David P. de Sousa et al.   CHEMISTRY-A EUROPEAN JOURNAL

Halogen bonds with N-heterocyclic carbenes as halogen acceptors: a partially covalent character

(2014) Han Lv et al.   MOLECULAR PHYSICS

Halogen bonding of electrophilic bromocarbons with pseudohalide anions

(2014) Sergiy V. Rosokha et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The halogen bond in thiirane⋯ClF: an example of a Mulliken inner complex

(2014) J. Grant Hill   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen Bonding: An Interim Discussion

(2013) Peter Politzer et al.   CHEMPHYSCHEM

Substituent Effects on the Cooperativity of Halogen Bonding

(2013) Mohammad Solimannejad et al.   JOURNAL OF PHYSICAL CHEMISTRY A

CCSD(T) level interaction energy for halogen bond between pyridine and substituted iodobenzenes: origin and additivity of substituent effects

(2013) Seiji Tsuzuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Halogen bonding and other σ-hole interactions: a perspective

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

Concerted Interaction between Pnicogen and Halogen Bonds in XClFH2PNH3 (X=F, OH, CN, NC, and FCC)

(2012) Qing-Zhong Li et al.   CHEMPHYSCHEM

Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations

(2012) Alessandra Forni et al.   CHEMPHYSCHEM

Halogen bonding for rational drug design and new drug discovery

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

Cooperative and substitution effects in enhancing strengths of halogen bonds in FCl⋯CNX complexes

(2012) Qingzhong Li et al.   JOURNAL OF CHEMICAL PHYSICS

The Role of Molecular Electrostatic Potentials in the Formation of a Halogen Bond in Furan⋅⋅⋅XY and Thiophene⋅⋅⋅XY Complexes

(2011) Yanli Zeng et al.   CHEMPHYSCHEM

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

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

The fluorine atom as a halogen bond donor, viz. a positive site

(2011) Pierangelo Metrangolo et al.   CRYSTENGCOMM

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

The prominent enhancing effect and mechanism of the methyl group in the X···Y (X=O, S, H3CO, H3CS, (H3C)2O, (H3C)2S; Y=HCN, HNC) hydrogen-bonded complex

(2011) Bo Jing et al.   MOLECULAR PHYSICS

Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study

(2011) Antonio Bauzá et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surprising enhancing effect of methyl group on the strength of O⋯XF and S⋯XF (X=Cl and Br) halogen bonds

(2010) Qingzhong Li et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Some measures for making halogen bonds stronger than hydrogen bonds in H2CS–HOX (X = F, Cl, and Br) complexes

(2010) Qing-Zhong Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CX⋅⋅⋅O Halogen Bonding: Interactions of Trifluoromethyl Halides with Dimethyl Ether

(2009) Dieter Hauchecorne et al.   CHEMPHYSCHEM

Energy decomposition analysis of covalent bonds and intermolecular interactions

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

A new unconventional halogen bond CX···HM between HCCX (X = Cl and Br) and HMH (M = Be and Mg): An ab initio study

(2009) Qing-Zhong Li et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Supramolecular Insulating Networks Sheathing Conducting Nanowires Based on Organic Radical Cations

(2008) Hiroshi M. Yamamoto et al.   ACS Nano

Nonadditivity of methyl group in single-electron hydrogen bond of methyl radical-water complex

(2008) Qingzhong Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY