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Angewandte Chemie International Edition, ISSN 1433-7851, 07/2019, Volume 58, Issue 30, pp. 10220 - 10224
Homo‐ and cross‐[4+2] cycloadditions of 2‐alkenylindoles, catalyzed by cationic halogen‐bond donors, were developed. Under mild reaction conditions,... 
density-functional calculations | cycloaddition | heterocycles | noncovalent bonds | halogen bonding | Activation | Cations | Catalysis
Journal Article
Molecular Physics, ISSN 0026-8976, 12/2016, Volume 114, Issue 23, pp. 3464 - 3474
In the present work, the cooperativity between hydrogen bond‒hydrogen bond, halogen bond‒halogen bond and hydrogen bond‒halogen bond in ternary... 
halogen bond | ab initio | diazine | cooperativity | Hydrogen bond | Protons | Hydrogen bonds | Hydrogen | Mathematical analysis | Halogens | Bonding strength | Chemical bonds | Coupling | Bonding
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 03/2014, Volume 118, Issue 12, pp. 2360 - 2366
Ab initio MP2/aug′-cc-pVTZ calculations have been carried out in search of equilibrium structures with P···Cl pnicogen bonds or halogen bonds on the potential... 
Models, Chemical | Nitrogen - chemistry | Chlorine - chemistry | Chemical Phenomena | Phosphorus - chemistry | Halogens - chemistry | Hydrogen - chemistry | Fluorine - chemistry | Electrons | Chemical bonds | Research
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 01/2017, Volume 56, Issue 3, pp. 812 - 815
Herein, we introduce catalysts that operate with chalcogen bonds. Compared to conventional hydrogen bonds, chalcogen bonds are similar in strength but more... 
dithienothiophenes | chalcogen bonds | transfer hydrogenation | homogeneous catalysis | HALIDE | HALOGEN-BOND | ORGANOCATALYSIS | CHEMISTRY, MULTIDISCIPLINARY | SURFACES | Sulfur compounds | Catalysis | Hydrogen | Hydrogenation | Bonds | Force and energy
Journal Article
Chemical Reviews, ISSN 0009-2665, 02/2016, Volume 116, Issue 4, pp. 2478 - 2601
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 11/2011, Volume 32, Issue 15, pp. 3296 - 3303
Quantum chemical calculations have been performed to study the complex of MCN‐LiCN‐XCCH (M = H, Li, and Na; X = Cl, Br, and I). The aim is to study the... 
halogen bond | lithium bond | interplay | substitution | enhancement | mechanism | CATION-PI | CENTER-DOT-O | AB-INITIO | ALGORITHM | CONVERGENT BASIS-SETS | CHEMISTRY, MULTIDISCIPLINARY | HYDROGEN-BONDS | MOLECULES | METALS | CONSISTENT BASIS-SETS | COOPERATIVITY | Quantum Theory | Halogens - chemistry | Lithium - chemistry | Models, Chemical | Static Electricity | Metals, Alkali
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2016, Volume 18, Issue 27, pp. 18015 - 18023
Quantum calculations examine how the NH...Y H-bond compares to the equivalent NX...Y halogen bond, as well as to comparable CH/CX donors. Succinimide and... 
Mutations | Equivalence | Mathematical analysis | Halogens | Succinimides | Physical chemistry | Chemical bonds | Derivatives
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2016, Volume 120, Issue 4, pp. 648 - 656
A theoretical study of the cooperativity in linear chains of (H3SiCN) n and (H3SiNC) n complexes connected by tetrel bonds has been carried out by means of MP2... 
DOT-N BONDS | HALOGEN BONDS | ELECTRON-DENSITY DISTRIBUTION | AB-INITIO | TERNARY COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DIFFRACTION DATA | DIPOLE-MOMENT ENHANCEMENT | ROTATIONAL SPECTRA | BASIS-SET CONVERGENCE | CRITICAL-POINT | Chemical bonds | Research | Chemistry, Physical and theoretical | Analysis
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2009, Volume 113, Issue 28, pp. 8132 - 8135
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2017, Volume 23, Issue 67, pp. 16972 - 16975
Chalcogen bonding is a noncovalent interaction based on electrophilic chalcogen substituents, which shares many similarities with the more well‐known hydrogen... 
organocatalysis | Lewis acids | noncovalent interactions | nucleophilic substitution | chalcogen bonding | HALOGEN-BOND | MACROCYCLES | ANION RECOGNITION | CHEMISTRY, MULTIDISCIPLINARY | Selenium | Catalysis | Bonds | Analysis | Chlorine compounds | Selenium compounds | Catalysts | Chlorine | Organoselenium compounds | Activation | Catalytic activity | Cations | Bonding | Isomers | Communications | Communication
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 27, pp. 18015 - 18023
Quantum calculations examine how the NH⋯Y H-bond compares to the equivalent NX⋯Y halogen bond, as well as to comparable CH/CX donors. Succinimide and... 
Journal Article
Chemical Communications, ISSN 1359-7345, 2007, Issue 8, pp. 855 - 857
A simple method for the conversion of (sp(3))C-F bonds of alkyl fluorides to (sp(3))C-X (X=Cl, C, H, O, S, Se, Te, N) bonds has been achieved by the use of a... 
ACTIVATION | HALOGEN-EXCHANGE-REACTIONS | BORON | AQUEOUS HYDROGEN HALIDES | LITHIUM EXCHANGE | ORGANIC HALIDES | FRIEDEL-CRAFTS ALKYLATION | DERIVATIVES | CHEMISTRY, MULTIDISCIPLINARY | GRIGNARD-REAGENTS | GLYCOSYL FLUORIDES
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 11/2017, Volume 117, Issue 22, pp. e25443 - n/a
The MP2 ab initio quantum chemistry methods were utilized to study the halogen‐bond and pnicogen‐bond system formed between PH2X (X = Br, CH3, OH, CN, NO2,... 
ab initio calculation | halogen‐bond | pnicogen‐bond | interaction energy | symmetry adapted perturbation theory | halogen-bond | pnicogen-bond | Bonds | Analysis
Journal Article