Keywords: پیوند هالوژن; Halogen bond; Supramolecular solvents; Chiral liquid chromatography/mass spectrometry; Hexabromocyclododecane enantiomers; Sediments; Soils;
مقالات ISI پیوند هالوژن (ترجمه نشده)
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Keywords: پیوند هالوژن; Intermolecular interaction; Halogen bond; Electrostatic interaction; MEPs;
Keywords: پیوند هالوژن; DNA methylation; DNA-bases tautomerism; Halogen bond; Molecular electrostatic potential; MP2 calculations;
Keywords: پیوند هالوژن; Atropisomers; Bipyridines; Chiral recognition; Halogen bond; Electrostatic potential surfaces; Polysaccharide-based chiral stationary phases;
Keywords: پیوند هالوژن; Formamidine; Halogen bond; Substituent; Energy decomposition
Keywords: پیوند هالوژن; Cyanoacetaldehyde; Hypohalous acids; Halogen bond; Hydrogen bond; Competition
Keywords: پیوند هالوژن; Halogen bond; Crystal engineering; Molecular recognition; Electrostatic potential; Co-crystallization; Hierarchy
Keywords: پیوند هالوژن; Infrared intensity; Charge flux; Electron density; Vibronic coupling; Hydrogen bond; Halogen bond
Keywords: پیوند هالوژن; Hydrogen bond; Halogen bond; Many-body interaction energy; DFT; QTAIM; Charge transfer;
Keywords: پیوند هالوژن; N; nucleotide; Pu; purine; Py; pyrimidine; H-bond; hydrogen bond; X-bond; halogen bond; F; fluorine; Cl; chlorine; Br; bromine; I; iodine; DSC; differential scanning calorimetry; IsoH; hydrogen bonded isomer; IsoX; halogen bonded isomer; SAS; solvent acce
Keywords: پیوند هالوژن; Pnicogen bond; Cooperativity; Ab initio; Halogen bond; Lithium bond; NBO
Networks of non-planar molecules with halogen bonds studied using scanning tunneling microscopy on Au (111)
Keywords: پیوند هالوژن; Molecular nanostructures; Self-assembly; Scanning tunneling microscopy; Halogen bond; Non-planar molecule;
Two-dimensional networks of brominated Y-shaped molecules on Au(111)
Keywords: پیوند هالوژن; Molecular nanostructures; Self-assembly; Scanning tunneling microscopy; Halogen bond;
Dual function of the boron center of BH(CO)2/BH(N2)2 in halogen- and triel-bonded complexes with hypervalent halogens
Keywords: پیوند هالوژن; Halogen bond; Triel bond; Hypervalent halogens: boron electron donors;
The role of halogen bonding in improving OFET performance of a naphthalenediimide derivative
Keywords: پیوند هالوژن; Supramolecular assembly; Halogen bond; Naphthalene diimide; Organic semiconductor; Organic field-effect transistor;
Novel complexes possessing Hg-(Cl, Br, I)â¯OC halogen bonding and unusual Hg2S2(Br/I)4 kernel. The usefulness of Ï4â² structural parameter
Keywords: پیوند هالوژن; Halogen bond; Benzoylthioureas; Mercury complexes; Bridging sulfur; Metal cation-Ï interaction;
Is Ï-hole an electronic exchange channel in YXâ¯CO interactions?
Keywords: پیوند هالوژن; Energy decomposition analysis; Ï-hole concept; Lewis acid-base interactions; Halogen bond;
Synthesis and structural analysis of 1,1,2-trichloro-2-[2-chloro-2-(organylsulfanyl)ethenyl]cyclopropanes: NMR, X-ray diffraction and QTAIM approach
Keywords: پیوند هالوژن; Sulfides; Cyclopropane; Carbenylation; Dichlorocarbene; X-ray; Non-covalent interactions; Halogen bond; AIM analysis;
Synthesis, crystal and solution structures of platinacyclic complexes containing eugenol, the main bioactive constituent of Ocimum sanctum L. oil
Keywords: پیوند هالوژن; Platinacyclic complex; Eugenol; Biological active compound; Halogen bond; C-Hâ¦Ï interactions;
Characterization of electronic features of intermolecular interactions involving organic fluorine: Inputs from in situ cryo-crystallization studies on F and CF3 substituted anilines
Keywords: پیوند هالوژن; In situ cryo-crystallization; Halogen bond; Intermolecular interactions; Organic fluorine; QTAIM;
Halogen bond in high-performance liquid chromatography enantioseparations: Description, features and modelling
Keywords: پیوند هالوژن; Alcohols; Bipyridines; Electrostatic potential; Halogen bond; Molecular dynamic; Polysaccharide-based chiral stationary phases;
Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Keywords: پیوند هالوژن; Indoleamine 2, 3-dioxygenase 1; INCB14943; Cancer immunotherapy; Halogen bond;
Systematic study of intermolecular C-Xâ¯OS (X = Cl, Br, I) halogen bonds in (E)-10-(1,2-dihalovinyl)-10H-phenothiazine 5,5-dioxides
Keywords: پیوند هالوژن; Halogen bond; Phenothiazine; Sulfone; CT interaction; DFT calculation;
Interrupted reduction of CF3SO2Cl using tricyclohexylphosphine allows for electrophilic trifluoromethylsulfinylation
Keywords: پیوند هالوژن; Sulfur; Fluorine; Phosphine; Indole; Halogen bond;
Role of halogen and hydrogen bonds for stabilization of antithyroid drugs with hypohalous acids (HOX, XÂ =Â I, Br, and Cl) adducts
Keywords: پیوند هالوژن; Halogen bond; Hydrogen bond; Antithyroid drugs; Methimazol; Thiazoline-2-thione; Theoretical calculations;
On the molecular and supramolecular properties of N,Nâ²-disubstituted iminoisoindolines: Synthesis, spectroscopy, X-ray structure and Hirshfeld surface analyses, and DFT calculations of two (E)-N,Nâ²-bis(aryl)iminoisoindolines (aryl = 2-tert-butylphen
Keywords: پیوند هالوژن; Iminoisoindoline; Structure elucidation; Supramolecular chemistry; Halogen bond; Pi interactions; DFT calculations;
Regioselective monobromination of aromatics via a halogen bond acceptor-donor interaction of catalytic thioamide and N-bromosuccinimide
Keywords: پیوند هالوژن; Monobromination; Organocatalyst; Thioamides; N-Bromosuccinimide; Halogen bond;
Linear Ï-holeâ¯COâ¯Ï-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y = Cl, Br)
Keywords: پیوند هالوژن; Halogen bond; Ï-Hole; Molecular electrostatic potential (MEP); Quantum theory of atoms in molecule; Electronic density difference;
Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
Keywords: پیوند هالوژن; Halogen bond; Ru; Iodine; Thiocyanate;
Characterization of non-classical CBrâ¯Ï interactions in (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene and related derivatives of ferrocene
Keywords: پیوند هالوژن; Halogen bond; Hydrogen bond; Ï-hole; Ferrocene; Intermolecular interactions; Electrostatic potential;
(CH3Brâ¯NH3)@C60: The effect of nanoconfinement on halogen bonding
Keywords: پیوند هالوژن; Halogen bond; Intermolecular interaction; Nanoconfinement; DFT; QTAIM;
Insight into the role of halogen bond in the activity of d-mandelate dehydrogenase toward halogenated substrates
Keywords: پیوند هالوژن; Protein design; Dehydrogenase; Halogen bond; Mandelic acid; Halogenated compound;
Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions
Keywords: پیوند هالوژن; Sigma hole; Halogen bond; CHARMM; Halogen; Drug design; CGenFF;
Simultaneous interactions of amphoteric halogen in XY (X = Cl, Br and Y = F, Cl, Br) with C and O atoms of CO2 in ring-shaped CO2·X(Y)·CO2 complexes
Keywords: پیوند هالوژن; Halogen bond; Ring-shaped; Dihalogen molecule; CO2; Cooperativity;
Anomalous planar structure observed in (E)-10-(1,2-dibromoprop-1-en-1-yl)-10H-phenothiazine
Keywords: پیوند هالوژن; Crystal structure; DFT calculation; Ynamines; Enamines; Halogen bond
Cooperative effects in FH/Li⋯HCCX⋯OH2 complexes (X = F, Cl, Br, H)
Keywords: پیوند هالوژن; Hydrogen bond; Halogen bond; Lithium bond; Cooperative effect
Novel regioselective aromatic chlorination via catalytic thiourea activation of N-chlorosuccinimide
Keywords: پیوند هالوژن; Aromatic chlorination; Catalytic thiourea; Halogen bond; N-Chlorosuccinimide;
Orthogonal hydrogen/halogen bonding in 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione-I2 adduct: An experimental and theoretical study
Keywords: پیوند هالوژن; 1-(2-Methoxyphenyl)-1H-imidazole-2(3H)-thione; Halogen bond; Hydrogen bond; X-ray crystal structure; Theoretical calculations
Halogen vs hydrogen bonding in thiazoline-2-thione stabilization with σ- and π-electron acceptors adducts: Theoretical and experimental study
Keywords: پیوند هالوژن; Thiazoline-2-thione; Hydrogen bond; Halogen bond; Solvent effect
Interplay between H⋯O, H⋯X, X⋯O and X⋯X interactions in the complex pairing of formyl halides with hypohalous acids
Keywords: پیوند هالوژن; Hydrogen bond; Halogen bond; Blue shift; Red shift; Formyl halide, Hypohalous acid
Non-additivity of F substituent in enhancing the halogen bond in C6H5Iâ¯NCH
Keywords: پیوند هالوژن; Halogen bond; Non-additivity; F substituent;
Tetragonal porous networks made by rod-like molecules on Au(1Â 1Â 1) with halogen bonds
Keywords: پیوند هالوژن; Scanning tunneling microscopy; Halogen bond; Intermolecular structure;
The phosphorescent behaviors of 9-bromo- and 9-iodophenanthrene in crystals modulated by π–π interactions, C–H⋯π hydrogen bond and C–I⋯π halogen bond
Keywords: پیوند هالوژن; π–π interaction; Halogen bond; Hydrogen bond; Phosphorescent behavior; Calculation
Superalkali Li3M (MÂ =Â Cl, Br, I) as a Lewis base in halogen bonding: A heavier halogen is a stronger Lewis base than a lighter halogen
Keywords: پیوند هالوژن; Halogen bond; Superatom; Orbital interaction; Li3Cl; Li3Br;
The halogenâ¯oxygen interaction in 3-halogenopropenal revisited - The dimer model vs. QTAIM indications
Keywords: پیوند هالوژن; Intramolecular interaction; Interaction energy; Repulsive interaction; Halogen bond; Bond path; Bond critical point; Atoms in molecules;
Polarization-enhanced bonding process of halogen bond, a theoretical study on F-H/F-X (X = F, Cl, Br, I) and ammonia
Keywords: پیوند هالوژن; Halogen bond; Ï-Hole; DFT-SAPT; Polarization; Electrostatic interaction; Charge transfer;
Substituents effects on activity of kynureninase from Homo sapiens and Pseudomonas fluorescens
Keywords: پیوند هالوژن; HsKynase; Homo sapiens kynureninase, EC 3.7.1.3; PfKynase; Pseudomonas fluorescens kynureninase, EC 3.7.1.3; Pyridoxal-5â²-phosphate; Electronic effects; Halogen bond;
On the role of noncovalent interactions in electrocatalysis. Two cases of mediated reductive dehalogenation
Keywords: پیوند هالوژن; Electrocatalysis; Reductive dehalogenation; Hydrogen bond; Halogen bond; Dispersive interactions;
HRgCN and HRgNC as halogen bond acceptors (Rg = Kr and Xe): A theoretical study upon strength and nature of halogenâ¯nitrogen and halogenâ¯carbon interactions
Keywords: پیوند هالوژن; Halogen bond; Ï-Holes; Energy decomposition; DFT; Electrostatic interaction;
Non-isostructural arrangement in the crystals of 2-bromo- and 2-iodobenzyl alcohols. The influence of Br⋯Br interactions
Keywords: پیوند هالوژن; Crystal structure; Halogen bond; Hydrogen bond; Vibrational spectra; Atoms in molecules theory