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Halogen Bonding: An Interim Discussion
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Präreaktive Komplexe der Dihalogene XY mit Lewis-Basen B in der Gasphase: eine systematische Studie der Halogen-Analoga B⋅⋅⋅XY der Wasserstoffbrückenbindungen B⋅⋅⋅HX
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Halogen Bonding versus Hydrogen Bonding in Driving Self-Assembly Processes
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Prereactive Complexes of Dihalogens XY with Lewis Bases B in the Gas Phase: A Systematic Case for the Halogen Analogue B⋅⋅⋅XY of the Hydrogen Bond B⋅⋅⋅HX
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Halogen Bonding versus Hydrogen Bonding in Driving Self-Assembly Processes
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Halogen Bonding: A Paradigm in Supramolecular Chemistry
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Halogenbrücken in der supramolekularen Chemie
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Systematische Untersuchung von Halogenbrücken in Protein‐Ligand‐ Wechselwirkungen
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Halogen Bonding in Supramolecular Chemistry
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Systematic Investigation of Halogen Bonding in Protein–Ligand Interactions
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The Nature of Halogen⋅⋅⋅Halogen Synthons: Crystallographic and Theoretical Studies
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Rational Modification of the Hierarchy of Intermolecular Interactions in Molecular Crystal Structures by Using Tunable Halogen Bonds
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Etudes de composés d'addition des acides de L EWIS . XII. Structure, spectre infrarouge et polarisation moléculaire du composé d'addition dioxanne‐1, 4–diiodacétylène
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Properties of halogen atoms for representing intermolecular electrostatic interactions related to halogen bonding and their substituent effects
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A new unconventional halogen bond CX···HM between HCCX (X = Cl and Br) and HMH (M = Be and Mg): An ab initio study
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Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes
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Molecular mechanical study of halogen bonding in drug discovery
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Comparison of atomic charges derived via different procedures
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Simultaneous σ‐hole and hydrogen bonding by sulfur‐ and selenium‐containing heterocycles
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Density functional study of AgnPd and AgnPdH clusters
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Surface electrostatic potentials of halogenated methanes as indicators of directional intermolecular interactions
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Molecular surface electrostatic potentials and local ionization energies of Group V–VII hydrides and their anions: Relationships for aqueous and gas‐phase acidities
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The electrostatic potential: an overview
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Halogen Bonding in Conducting or Magnetic Molecular Materials
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The Interaction of Dihalogens and Hydrogen Halides with Lewis Bases in the Gas Phase: An Experimental Comparison of the Halogen Bond and the Hydrogen Bond
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Theoretical Characterization of the Trends in Halogen Bonding
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Multipole expansions of the electrostatic molecular potential
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Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions
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Protein Kinase CK2 in Health and Disease
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Atomic and molecular energies as functionals of the electrostatic potential
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Halogen bonding and beyond: factors influencing the nature of CN–R and SiN–R complexes with F–Cl and Cl2
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Halogen bonding: the σ-hole
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An overview of halogen bonding
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σ-hole bonding: molecules containing group VI atoms
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Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?
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σ-hole bonding between like atoms; a fallacy of atomic charges
inferredcites →https://doi.org/10.1007/s00894-008-0307-yopenalex-snapshot
Blue shifts vs red shifts in σ-hole bonding
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Expansion of the σ-hole concept
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Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies
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Average local ionization energy: A review
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Theoretical investigations of the H···π and X (X = F, Cl, Br, I)···π complexes between hypohalous acids and benzene
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Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine
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Polarization-induced σ-holes and hydrogen bonding
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Intramolecular S···O chalcogen bond in thioindirubin
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Theoretical and crystallographic data investigations of noncovalent S···O interactions
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On the mapping of electrostatic properties from bragg diffraction data
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Anisotropy of electron-density distribution around atoms in molecules: N, P, O and S atoms
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Efficient techniques for the decomposition of intermolecular interaction energy at SCF level and beyond
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Novel radical cation salts of organic π-donors containing iodine atom(s): the first application of strong intermolecular-I···X-(X = CN, halogen atom) interaction to molecular conductors
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Inspecting the Structure-Activity Relationship of Protein Kinase CK2 Inhibitors Derived from Tetrabromo-Benzimidazole
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Competition of chalcogen bond, halogen bond, and hydrogen bond in SCSHOX and SeCSeHOX (X=Cl and Br) complexes
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Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)
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Cooperativity halogen bonding effect – Ab initio calculations on H2CO⋯(ClF) complexes
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QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics
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Using reactivity indicators instead of the electron density to describe Coulomb systems
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Theoretical studies on the nature of bonding in σ-hole complexes
inferredcites →https://doi.org/10.1016/j.cplett.2011.03.085openalex-snapshot
Do nitrogen bases form chlorine-shared and ion-pair halogen bonds?
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Halogenated Benzenes Bound within a Non-polar Cavity in T4 Lysozyme Provide Examples of I⋯S and I⋯Se Halogen-bonding
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Halogen bonding in crystal structure of 1-methylpyrrol-2-yl trichloromethyl ketone
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Self-assembly of nitroxide radicals via halogen bonding—directional NO⋯I interactions
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Understanding the magnitude and origin of bidentate charge-assisted halogen bonds of halo-perfluorocarbons and halo-hydrocarbons with halide anions
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Halogen/π interaction and cooperativity effect between dihalogen molecules and unsaturated hydrocarbons: An ab initio study
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Statistical analysis of the molecular surface electrostatic potential: an approach to describing noncovalent interactions in condensed phases
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Supramolecular organic conductor θ-(DIETS)2[Au(CN)4]: unique crystal structure and superconductivity under uniaxial strain (DIETS=diiodo(ethylenedithio)diselenadithiafulvalene)
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Halogen Bonding Based Recognition Processes: A World Parallel to Hydrogen Bonding
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Fluorine-Centered Halogen Bonding: A Factor in Recognition Phenomena and Reactivity
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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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Structural chemistry of donor-acceptor interactions
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Average Local Ionization Energies as a Route to Intrinsic Atomic Electronegativities
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On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds
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Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents
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Scalable Anisotropic Shape and Electrostatic Models for Biological Bromine Halogen Bonds
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Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses
inferredcites →https://doi.org/10.1021/ct8004134openalex-snapshot
Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone
inferredcites →https://doi.org/10.1021/ic801011gopenalex-snapshot
Homoleptic Selenium Cyanides: Attempted Preparation of Se(CN)4 and Redetermination of the Crystal Structure of Se(CN)2
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The Ham bands revisited: spectroscopy and photophysics of the benzene-carbon tetrachloride complex
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Some new ideas in the theory of intermolecular forces: anisotropic atom-atom potentials
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Mapping electron density in molecules. 14. Nonbonded contacts between lone pairs on divalent sulfurs
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Computational studies of nonbonded sulfur-oxygen and selenium-oxygen interactions in the thiazole and selenazole nucleosides
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The cost of conformational order: entropy changes in molecular associations
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Partitioning of free energy contributions in the estimation of binding constants: residual motions and consequences for amide-amide hydrogen bond strengths
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The Nature of -Cl.cntdot..cntdot..cntdot.Cl- Intermolecular Interactions
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Electronegativity is the average one-electron energy of the valence-shell electrons in ground-state free atoms
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Properties of atoms in molecules: atomic volumes
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Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond
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Intermolecular interactions of the carbon-fluorine bond: the crystallographic environment of fluorinated carboxylic acids and related structures
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Directional preferences of nonbonded atomic contacts with divalent sulfur in terms of its orbital orientations. 2. Sulfur.cntdot..cntdot..cntdot.sulfur interactions and nonspherical shape of sulfur in crystals
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The experimental charge distribution in sulfur containing molecules. Analysis of cyclic octasulfur at 300 and 100 K
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Directional preferences of nonbonded atomic contacts with divalent sulfur. 1. Electrophiles and nucleophiles
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Computer retrieval and analysis of molecular geometry. 4. Intermolecular interactions
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Cycloaddition chemistry. XXI. Extended Hueckel calculations on two heterocyclic systems containing 2.41- and 2.64-A. sulfur-oxygen distances
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Molecular Compounds and their Spectra. II
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A Spectrophotometric Investigation of the Interaction of Iodine with Aromatic Hydrocarbons
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Observations on the Addition Compound of Silicon Tetrafluoride and Ammonia
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Quantitative Evaluation of Weak Nonbonded Se···F Interactions and Their Remarkable Nature as Orbital Interactions
inferredcites →https://doi.org/10.1021/ja036994lopenalex-snapshot
Halogen Bonding: A New Interaction for Liquid Crystal Formation
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The Nature of the Supramolecular Association of 1,2,5-Chalcogenadiazoles
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Theoretical Investigations on Chalcogen−Chalcogen Interactions: What Makes These Nonbonded Interactions Bonding?
inferredcites →https://doi.org/10.1021/ja067545zopenalex-snapshot
Red-, Blue-, or No-Shift in Hydrogen Bonds: A Unified Explanation
inferredcites →https://doi.org/10.1021/ja073201copenalex-snapshot
Structural Competition between Hydrogen Bonds and Halogen Bonds
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The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen
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Nature of the Intramolecular Se···N Nonbonded Interaction of 2-Selenobenzylamine Derivatives. An Experimental Evaluation by 1H, 77Se, and 15N NMR Spectroscopy
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β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane
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Perfluorocarbon−Hydrocarbon Self-Assembling. 1D Infinite Chain Formation Driven by Nitrogen···Iodine Interactions
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Fragment-Based Lead Discovery Using X-ray Crystallography
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Diastereomers of Dibromo-7-epi-10-deacetylcephalomannine: Crowded and Cytotoxic Taxanes Exhibit Halogen Bonds
inferredcites →https://doi.org/10.1021/jm9000133openalex-snapshot
Halogen Bonding—A Novel Interaction for Rational Drug Design?
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Stable Hexacoordinated Neutral Complexes between Silyl Halides and Two Water or Two Ammonia Molecules: SiX4Y2 (X = H, F, Cl; Y = H2O, NH3)
inferredcites →https://doi.org/10.1021/jp013677xopenalex-snapshot
Solvent Effects on Hydrogen BondsA Theoretical Study
inferredcites →https://doi.org/10.1021/jp036769qopenalex-snapshot
Theoretical Study on the Blueshifting Halogen Bond
inferredcites →https://doi.org/10.1021/jp0547360openalex-snapshot
Triangular Halogen Trimers. A DFT Study of the Structure, Cooperativity, and Vibrational Properties
inferredcites →https://doi.org/10.1021/jp062289yopenalex-snapshot
Properties of the Halogen−Hydride Interaction: An ab Initio and “Atoms in Molecules” Analysis
inferredcites →https://doi.org/10.1021/jp073667hopenalex-snapshot
Unpaired and σ Bond Electrons as H, Cl, and Li Bond Acceptors: An Anomalous One-Electron Blue-Shifting Chlorine Bond
inferredcites →https://doi.org/10.1021/jp101732copenalex-snapshot
Novel Halogen-Bonded Complexes H 3 NBH 3 ···XY (XY = ClF, ClCl, BrF, BrCl, and BrBr): Partially Covalent Character
inferredcites →https://doi.org/10.1021/jp1075687openalex-snapshot
Cooperative and Diminutive Unusual Weak Bonding In F3CX···HMgH···Y and F3CX···Y···HMgH Trimers (X = Cl, Br; Y = HCN, and HNC)
inferredcites →https://doi.org/10.1021/jp110295nopenalex-snapshot
Do Traditional, Chlorine-shared, and Ion-pair Halogen Bonds Exist? An ab Initio Investigation of FCl:CNX Complexes
inferredcites →https://doi.org/10.1021/jp111616xopenalex-snapshot
How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model
inferredcites →https://doi.org/10.1021/jp806101topenalex-snapshot
Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases
inferredcites →https://doi.org/10.1021/jp906352eopenalex-snapshot
C−X···H Contacts in Biomolecular Systems: How They Contribute to Protein−Ligand Binding Affinity
inferredcites →https://doi.org/10.1021/jp993415jopenalex-snapshot
Halogen Bonding in Fluoroalkylhalides: A Quantum Chemical Study of Increasing Fluorine Substitution
inferredcites →https://doi.org/10.1038/277665a0openalex-snapshot
Promotion of microtubule assembly in vitro by taxol
inferredcites →https://doi.org/10.1038/nchem.112openalex-snapshot
Halogen bonds as orthogonal molecular interactions to hydrogen bonds
inferredcites →https://doi.org/10.1038/nchem.179openalex-snapshot
Chlorotrinitromethane and its exceptionally short carbon–chlorine bond
inferredcites →https://doi.org/10.1038/nchem.984openalex-snapshot
Activating efficient phosphorescence from purely organic materials by crystal design
inferredcites →https://doi.org/10.1039/a906688hopenalex-snapshot
Synthesis and molecular structures of N,N-dimethylhydroxylamino-trichlorosilane and -germane †
inferredcites →https://doi.org/10.1039/b107926nopenalex-snapshot
Arsenic(iii) halide complexes with phosphine and arsine co-ligands: synthesis, spectroscopic and structural properties
inferredcites →https://doi.org/10.1039/b201224copenalex-snapshot
1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores
inferredcites →https://doi.org/10.1039/b311027copenalex-snapshot
X-ray and neutron diffraction studies and molecular dynamics simulations of liquid DMSO
inferredcites →https://doi.org/10.1039/b702724aopenalex-snapshot
Tuning second-order NLO responses through halogen bonding
inferredcites →https://doi.org/10.1039/b803329nopenalex-snapshot
Halogen bonded supramolecular complexes and networks
inferredcites →https://doi.org/10.1039/b821300copenalex-snapshot
Anion coordination and anion-templated assembly under halogen bonding control
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Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design
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The halogen bond: an interim perspective
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Halogen bonding: an electrostatically-driven highly directional noncovalent interaction
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Role of organic fluorine in crystal engineering
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The fluorine atom as a halogen bond donor, viz. a positive site
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Applications of realistic electrostatic modelling to molecules in complexes, solids and proteins
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XXVIII.—On the iodide of iodammonium
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Nature of S ⋯· O interaction in short X –S ⋯· O contacts: charge density experimental studies and theoretical interpretation
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Direct structural evidence for weak charge-transfer bonds in solids containing chemically saturated molecules
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The role of atomic quadrupoles in intermolecular electrostatic interactions of polar and nonpolar molecules
inferredcites →https://doi.org/10.1063/1.1725932openalex-snapshot
Lack of Charge Transfer in Aromatic Charge—Transfer Complexes
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Unusual halogen-bonded complex FBrδ+⋯Brδ+F and hydrogen-bonded complex FBrδ+⋯Hδ+F formed by interactions between two positively charged atoms of different polar molecules
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The electrostatic interactions in van der Waals complexes involving aromatic molecules
inferredcites →https://doi.org/10.1063/1.456622openalex-snapshot
Characteristic features of the electrostatic potentials of singly negative monoatomic ions
inferredcites →https://doi.org/10.1071/ch10259openalex-snapshot
Directional Weak Intermolecular Interactions: σ-Hole Bonding
inferredcites →https://doi.org/10.1073/pnas.0407607101openalex-snapshot
Halogen bonds in biological molecules
inferredcites →https://doi.org/10.1073/pnas.0610531104openalex-snapshot
Directing macromolecular conformation through halogen bonds
inferredcites →https://doi.org/10.1080/00268977900100041openalex-snapshot
Experimental electron density distribution of molecular chlorine
inferredcites →https://doi.org/10.1080/1061027031000078248openalex-snapshot
Design and Synthesis of New Tectons for Halogen Bonding-driven Crystal Engineering
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Anisotropic atom–atom forces and the space group of solid chlorine
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Topological definition of crystal structure: determination of the bonded interactions in solid molecular chlorine
inferredcites →https://doi.org/10.1107/s0365110x64001773openalex-snapshot
The crystal structure of the molecular complex of iodine with tetrahydroselenophene, C4H8Se.I2
inferredcites →https://doi.org/10.1107/s0365110x65000932openalex-snapshot
The crystal structure of p-iodobenzonitrile
inferredcites →https://doi.org/10.1107/s056774086900327xopenalex-snapshot
The crystal structure of POBr3 and intermolecular bonding
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Structure of rat transthyretin (rTTR) complex with thyroxine at 2.5 Å resolution: first non-biased insight into thyroxine binding reveals different hormone orientation in two binding sites
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A Low Temperature Infrared Study of Hydrogen Bonding in N-Alkylacetamides
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On the Hydrogen Bond Breaking Ability of Fluorocarbons Containing Higher Halogens
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The Crystal Structure of the 1:1 Addition Compound Formed by Benzyl Sulphide and Iodine.
inferredcites →https://doi.org/10.3891/acta.chem.scand.15-1429openalex-snapshot
Crystal Structure of the 1:1 Addition Compound Dithiane-Iodoform.
inferredcites →https://doi.org/10.3891/acta.chem.scand.16-0249openalex-snapshot
Crystal Structure of the 1:3 Addition Compound Iodoform-Quinoline.
inferredcites →https://doi.org/10.3891/acta.chem.scand.19-1159openalex-snapshot
X-Ray Analysis of the (1:1) Addition Compounds of 1,4-Dioxan with Oxalyl Chloride resp. Oxalyl Bromide.
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A Close Relation between the Crystal Structure of an Acceptor and That of an Addition Compound.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1002/qua.25091openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qua.25354openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.201701246openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.201701676openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.201703137openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.202004032openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.74341openalex-snapshot
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The many faces of halogen bonding: a review of theoretical models and methods
inferred← citeshttps://doi.org/10.1002/wcms.1326openalex-snapshot
Molecular electrostatic potentials and noncovalent interactions
inferred← citeshttps://doi.org/10.1002/wcms.1601openalex-snapshot
Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity
inferred← citeshttps://doi.org/10.1002/zaac.201200493openalex-snapshot
Charge Density of Intra‐ and Intermolecular Halogen Contacts
inferred← citeshttps://doi.org/10.1002/zaac.201300141openalex-snapshot
Halogen Bonding in the Assembly of a 1D Cadmium(II) Polymer Based on Chlorendic Acid (HET)
inferred← citeshttps://doi.org/10.1002/zaac.201400085openalex-snapshot
Recent Discoveries of Polyhalogen Anions – from Bromine to Fluorine
inferred← citeshttps://doi.org/10.1002/zaac.201500250openalex-snapshot
Effects of Halogen Bonding in Chemical Activity of Lead(II) Electron Pair: Sonochemical Synthesis, Structural Studies, and Thermal Analysis of Novel Lead(II) Nano Coordination Polymer
inferred← citeshttps://doi.org/10.1007/128_2014_568openalex-snapshot
σ-Hole Bonding: A Physical Interpretation
inferred← citeshttps://doi.org/10.1007/128_2014_606openalex-snapshot
Characteristics of a σ-Hole and the Nature of a Halogen Bond
inferred← citeshttps://doi.org/10.1007/128_2015_666openalex-snapshot
Halogen Bonding in Hypervalent Iodine Compounds
inferred← citeshttps://doi.org/10.1007/978-1-4899-7699-4_9openalex-snapshot
Hydrogen Bond and Other Lewis Acid–Lewis Base Interactions—Mechanisms of Formation
inferred← citeshttps://doi.org/10.1007/978-3-319-14163-3_10openalex-snapshot
A Unified View of Halogen Bonding, Hydrogen Bonding and Other σ-Hole Interactions
inferred← citeshttps://doi.org/10.1007/978-3-319-14163-3_12openalex-snapshot
Interplay of Hydrogen, Halogen, Lithium and Beryllium Bonds in Complexes of Thiirane
inferred← citeshttps://doi.org/10.1007/978-3-319-29022-5_15openalex-snapshot
What Can Be Learnt from a Location of Bond Paths and from Electron Density Distribution
inferred← citeshttps://doi.org/10.1007/978-3-319-29022-5_16openalex-snapshot
Following Halogen Bonds Formation with Bader’s Atoms-in-Molecules Theory
inferred← citeshttps://doi.org/10.1007/s00214-015-1752-1openalex-snapshot
Theoretical studies of traditional and halogen-shared halogen bonds: the doped all-metal aromatic clusters MAl3 − (M = Si, Ge, Sn, Pb) as halogen bond acceptors
inferred← citeshttps://doi.org/10.1007/s00214-015-1796-2openalex-snapshot
Intramolecular halogen bonding: an interacting quantum atoms study
inferred← citeshttps://doi.org/10.1007/s00214-016-1895-8openalex-snapshot
Competition between intramolecular hydrogen and pnictogen bonds in protonated systems
inferred← citeshttps://doi.org/10.1007/s00214-017-2145-4openalex-snapshot
On the opposite trends of correlations between interaction energies and electrostatic potentials of chlorinated and methylated amine complexes stabilized by halogen bond
inferred← citeshttps://doi.org/10.1007/s00214-019-2517-zopenalex-snapshot
Theoretical study of electronic and nonlinear optical properties of Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane derivative with an extended π conjugation
inferred← citeshttps://doi.org/10.1007/s00775-019-01663-4openalex-snapshot
The role of halogen substituents and substrate pKa in defining the substrate specificity of 2,6-dichlorohydroquinone 1,2-dioxygenase (PcpA)
inferred← citeshttps://doi.org/10.1007/s00775-025-02101-4openalex-snapshot
Characterization of the substrate specificity and regioselectivity of ring-cleavage of Pseudomonas putida DLL-E4 hydroquinone 1,2-dioxygenase (PnpC1C2)
inferred← citeshttps://doi.org/10.1007/s00894-013-1910-0openalex-snapshot
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides
inferred← citeshttps://doi.org/10.1007/s00894-013-1912-yopenalex-snapshot
Revealing substitution effects on the strength and nature of halogen-hydride interactions: a theoretical study
inferred← citeshttps://doi.org/10.1007/s00894-013-1969-7openalex-snapshot
Competition between hydrogen bonds and halogen bonds in complexes of formamidine and hypohalous acids
inferred← citeshttps://doi.org/10.1007/s00894-013-1983-9openalex-snapshot
Theoretical study on cooperative effects between X⋯N and X⋯Carbene halogen bonds (X = F,Cl,Br and I)
inferred← citeshttps://doi.org/10.1007/s00894-013-1992-8openalex-snapshot
Discovery of σ-hole interactions involving ylides
inferred← citeshttps://doi.org/10.1007/s00894-013-2007-5openalex-snapshot
The competition of C-X⋯O=P halogen bond and π-hole⋯O=P bond between halopentafluorobenzenes C6F5X (X=F, Cl, Br, I) and triethylphosphine oxide
inferred← citeshttps://doi.org/10.1007/s00894-013-2032-4openalex-snapshot
Cooperativity between fluorine-centered halogen bonds: investigation of substituent effects
inferred← citeshttps://doi.org/10.1007/s00894-014-2089-8openalex-snapshot
Influence of the nature of hydrogen halides and metal cations on the interaction types between borazine and hydrogen halides
inferred← citeshttps://doi.org/10.1007/s00894-014-2101-3openalex-snapshot
Theoretical study of the complementarity in halogen–bonded complexes involving nitrogen and halogen as negative sites
inferred← citeshttps://doi.org/10.1007/s00894-014-2102-2openalex-snapshot
Characterization of halogen···halogen interactions in crystalline dihalomethane compounds (CH2Cl2, CH2Br2 and CH2I2): a theoretical study
inferred← citeshttps://doi.org/10.1007/s00894-014-2133-8openalex-snapshot
The X∙∙∙Au interactions in the CF3X (X = Cl, Br) ∙∙∙Aun (n = 2, 3, and 4) complexes
inferred← citeshttps://doi.org/10.1007/s00894-014-2203-yopenalex-snapshot
CNXeCl and CNXeBr species as halogen bond donors: a quantum chemical study on the structure, properties, and nature of halogen···nitrogen interactions
inferred← citeshttps://doi.org/10.1007/s00894-014-2235-3openalex-snapshot
Theoretical investigations on the enhancing effect of the cation–π interaction on the halogen bond in the M∙∙∙HCCX∙∙∙NH3 (M = Li+, Na+, Cu+, Ag+, Au+; X = Cl, Br) complexes
inferred← citeshttps://doi.org/10.1007/s00894-014-2262-0openalex-snapshot
Reaction of chlorine radical with tetrahydrofuran: a theoretical investigation on mechanism and reactivity in gas phase
inferred← citeshttps://doi.org/10.1007/s00894-014-2282-9openalex-snapshot
Enhancing effects of hydrogen/halogen bonds on σ-hole interactions involving ylide
inferred← citeshttps://doi.org/10.1007/s00894-014-2291-8openalex-snapshot
Halogen bonds enhanced by σ-hole and π-hole interactions: a comparative study on cooperativity and competition effects between X∙∙∙N and S∙∙∙N interactions in H3N∙∙∙XCN∙∙∙SF2 and H3N∙∙∙XCN∙∙∙SO2 complexes (X = F, Cl, Br and I)
inferred← citeshttps://doi.org/10.1007/s00894-014-2424-0openalex-snapshot
Investigations into the nature of halogen- and hydrogen-bonding interactions of some heteroaromatic rings with dichlorine monoxide
inferred← citeshttps://doi.org/10.1007/s00894-014-2436-9openalex-snapshot
Substituent effects on cooperativity of pnicogen bonds
inferred← citeshttps://doi.org/10.1007/s00894-014-2445-8openalex-snapshot
A post-HF study on the interaction of iodine with small polyaromatic hydrocarbons
inferred← citeshttps://doi.org/10.1007/s00894-014-2458-3openalex-snapshot
Interplay between halogen and chalcogen bonding in the XCl∙∙∙OCS∙∙∙NH3 (X = F, OH, NC, CN, and FCC) complex
inferred← citeshttps://doi.org/10.1007/s00894-014-2545-5openalex-snapshot
An ab initio study on the concerted interaction between chalcogen and pnicogen bonds
inferred← citeshttps://doi.org/10.1007/s00894-015-2585-5openalex-snapshot
Mathematical modeling and physical reality in noncovalent interactions
inferred← citeshttps://doi.org/10.1007/s00894-015-2613-5openalex-snapshot
Does single-electron chalcogen bond exist? Some theoretical insights
inferred← citeshttps://doi.org/10.1007/s00894-015-2614-4openalex-snapshot
Exploring σ-hole bonding in XH3Si···HMY (X=H, F, CN; M=Be, Mg; Y=H, F, CH3) complexes: a “tetrel-hydride” interaction
inferred← citeshttps://doi.org/10.1007/s00894-015-2660-yopenalex-snapshot
Comparison of halogen bonds in M−X⋯N contacts (M=C, Si, Ge and X=Cl, Br)
inferred← citeshttps://doi.org/10.1007/s00894-015-2697-yopenalex-snapshot
A comprehensive analysis of P···π pnicogen bonds: substitution effects and comparison with Br···π halogen bonds
inferred← citeshttps://doi.org/10.1007/s00894-015-2727-9openalex-snapshot
An ab initio study on tunability of σ-hole interactions in XHS:PH2Y and XH2P:SHY complexes (X = F, Cl, Br; Y = H, OH, OCH3, CH3, C2H5, and NH2)
inferred← citeshttps://doi.org/10.1007/s00894-015-2776-0openalex-snapshot
Enhancing the hydrogen bond between the bridged hydrogen atom of diborane and ammonia
inferred← citeshttps://doi.org/10.1007/s00894-015-2850-7openalex-snapshot
Tuning of chalcogen bonds by cation–π interactions: cooperative and diminutive effects
inferred← citeshttps://doi.org/10.1007/s00894-015-2872-1openalex-snapshot
Cooperative effects between halogen bonds and pnicogen bonds in XBr∙∙∙OFH2P∙∙∙NH3 (X = F, Cl, CN, NC, OH, and NO2) complexes
inferred← citeshttps://doi.org/10.1007/s00894-015-2876-xopenalex-snapshot
Substituent effects on the properties of the hemi-bonded complexes (XH2P···NH2Y)+ (X, Y=H, F, Cl, Br, NH2, CH3, OH)
inferred← citeshttps://doi.org/10.1007/s00894-015-2899-3openalex-snapshot
How lithium atoms affect the first hyperpolarizability of BN edge-doped graphene
inferred← citeshttps://doi.org/10.1007/s00894-016-2918-zopenalex-snapshot
The encapsulated lithium effect on the first hyperpolarizability of C60Cl2 and C60F2
inferred← citeshttps://doi.org/10.1007/s00894-016-2919-yopenalex-snapshot
Comparison of the directionality of the halogen, hydrogen, and lithium bonds between HOOOH and XF (X = Cl, Br, H, Li)
inferred← citeshttps://doi.org/10.1007/s00894-016-2999-8openalex-snapshot
Theoretical study of the structures and first hyperpolarizabilities of C60Cl n and Li@C60Cl n (n = 4, 6, 8, 10)
inferred← citeshttps://doi.org/10.1007/s00894-016-3169-8openalex-snapshot
The protonated 2-halogenated imidazolium cation as the noncovalent interaction donor: the σ-hole and π-hole interactions
inferred← citeshttps://doi.org/10.1007/s00894-017-3311-2openalex-snapshot
Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
inferred← citeshttps://doi.org/10.1007/s00894-017-3358-0openalex-snapshot
Theoretical study of noncovalent interactions in XCN···YO2H (X = F, Cl, Br, I; Y = P, As, Sb) complexes
inferred← citeshttps://doi.org/10.1007/s00894-017-3380-2openalex-snapshot
Perturbation of hydrogen bonding in hydrated pyrrole-2-carboxaldehyde complexes
inferred← citeshttps://doi.org/10.1007/s00894-017-3407-8openalex-snapshot
Insight into π-hole interactions containing the inorganic heterocyclic compounds S2N2/SN2P2
inferred← citeshttps://doi.org/10.1007/s00894-017-3452-3openalex-snapshot
Discovering protein−ligand chalcogen bonding in the protein data bank using endocyclic sulfur-containing heterocycles as ligand search subsets
inferred← citeshttps://doi.org/10.1007/s00894-017-3569-4openalex-snapshot
Hydrogen bonds and other interactions as a response to protect doublet/octet electron structure
inferred← citeshttps://doi.org/10.1007/s00894-018-3711-yopenalex-snapshot
Dispersion and polar flattening: noble gas–halogen complexes
inferred← citeshttps://doi.org/10.1007/s00894-018-3732-6openalex-snapshot
Competition between tetrel bond and pnicogen bond in complexes of TX3-ZX2 and NH3
inferred← citeshttps://doi.org/10.1007/s00894-018-3734-4openalex-snapshot
Computational study of the NO, SO2, and NH3 adsorptions on fragments of 3N-graphene and Al/3N graphene
inferred← citeshttps://doi.org/10.1007/s00894-018-3897-zopenalex-snapshot
Revisiting the halogen bonding between phosphodiesterase type 5 and its inhibitors
inferred← citeshttps://doi.org/10.1007/s00894-019-3940-8openalex-snapshot
A DFT-based study of the hydrogen-bonding interactions between myricetin and ethanol/water
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