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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
Physical Chemistry Chemical Physics, ISSN 1463-9076, 03/2015, Volume 17, Issue 9, pp. 6440 - 6450
Halogen bonding (XB) is being extensively explored for its potential use in advanced materials and drug design. Despite significant progress in describing this... 
MOLECULAR-INTERACTIONS | PNICOGEN BONDS | ELECTRON | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ENERGY DECOMPOSITION SCHEME | NMR CHEMICAL-SHIFT | QUANTUM-THEORY | INTERMOLECULAR INTERACTIONS | SOLID-STATE | Quantum Theory | Halogens - chemistry | Hydrogen Bonding | Static Electricity
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 02/2015, Volume 17, Issue 9, pp. 6440 - 6450
Halogen bonding (XB) is being extensively explored for its potential use in advanced materials and drug design. Despite significant progress in describing this... 
Drugs | Orbitals | Asymmetry | Stabilization | Halogens | Chemical bonds | Charge | Bifurcations | Bonding
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 05/2011, Volume 17, Issue 22, pp. 6034 - 6038
As strong as hydrogen bonds: An unexpected strong noncovalent interaction between atoms of the nitrogen group show a bond strength up to 28.0 kJ mol−1 and... 
ab initio calculations | noncovalent interactions | supramolecular chemistry | pnicogens | phosphorus | CHALCOGEN-CHALCOGEN INTERACTIONS | COMPLEXES | ELECTRONEGATIVE SUBSTITUENTS | HALOGEN | CHEMISTRY, MULTIDISCIPLINARY | THEORETICAL INVESTIGATIONS | DI(TERTIARY PHOSPHINES) | CHEMISTRY | INTERMOLECULAR INTERACTIONS | Hydrogen bonds | Bonding strength | Chemical bonds
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2018, Volume 57, Issue 19, pp. 5408 - 5412
Halogen‐ and chalcogen‐based σ‐hole interactions have recently received increased interest in non‐covalent organocatalysis. However, the closely related... 
pnictogen bonds | chalcogen bonds | anion binding | catalysis | halogen bonds | ANION-BINDING CATALYSIS | PHOSPHORUS TRIBROMIDE | HOLE INTERACTIONS | MOLECULAR-STRUCTURE | ORGANOCATALYSIS | ION | CRYSTAL | DONORS | CHEMISTRY, MULTIDISCIPLINARY | PNICOGEN | Bonds | Analysis | Catalysis | Catalysts | Periodic table | Antimony | Homology | Catalytic activity | Bonding | Communications | Communication
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 2019, Volume 141, Issue 2, pp. 810 - 814
In this Communication, we introduce transmembrane anion transport with pnictogen-bonding compounds and compare their characteristics with chalcogen- and... 
CATALYSIS | PNICOGEN | PI INTERACTIONS | ION-CHANNEL | BINDING | CHEMISTRY, MULTIDISCIPLINARY | CHLORIDE
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 06/2014, Volume 118, Issue 23, pp. 4205 - 4213
The mutual interaction between beryllium bonds and halogen bonds within H2Be···FCl···Base complexes, where Base includes a wide set of N- and O-containing... 
WATER CLUSTERS | PNICOGEN BONDS | MOLECULAR-DYNAMICS | METHANOL | HYDROGEN-BOND | CYCLIC WATER | TRIMERS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DENSITY-FUNCTIONAL THEORY | BINDING | Halogens | Beryllium | Electric properties | Tools | Nuclear power generation | Topology | Atomic energy | Electron density | Lewis base
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2017, Volume 121, Issue 29, pp. 5561 - 5568
Quantum calculations are used to examine the properties of heterodimers formed by a series of tetrel-containing molecules with NH3 as universal Lewis base. TH4... 
HALIDE RECEPTORS | PNICOGEN BONDS | CHARGE-TRANSFER COMPLEXES | HALOGEN BONDS | SIGMA-HOLE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | H-BONDS | PI-HOLE INTERACTIONS | CHALCOGEN BONDS | HYDROGEN-BONDS | Chemical bonds | Research | Quantum chemistry | Fluorination | Analysis
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 01/2018, Volume 691, pp. 394 - 400
[Display omitted] •Anionic tetrel-bonding interactions formed between a series of anions and CF3X or SiF3X (X = F, CN) molecules are studied.•SiF3X form strong... 
MEP | Ab initio | Tetrel bond | Noncovalent interaction | Charge transfer | SIGMA-HOLE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | AROMATIC RINGS | NONCOVALENT INTERACTIONS | HYDROGEN-BONDS | PI-INTERACTIONS | CHARGE-DENSITY | PNICOGEN BONDS | CHALCOGEN BOND | HALOGEN BOND | SUPRAMOLECULAR FORCE | Surface active agents | Analysis | Bonds | Quantum theory
Journal Article
Molecular Physics, ISSN 0026-8976, 02/2019, Volume 117, Issue 3, pp. 251 - 259
A computational study of the complexes formed by F 2 C=CFZH 2 (Z = P, As, and Sb) and F 2 C=CFPF 2 with two Lewis bases (NH 3 and NMe 3 ) has been carried out.... 
AIM | π-hole tetrel bond | NBO | σ-hole pnicogen bond
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 11/2014, Volume 132, pp. 271 - 277
[Display omitted] •Three types of complexes were found for the complexes of hypohalous acids and phosphine derivatives.•There is competition among hydrogen... 
Halogen bonds | Pnicogen bonds | Hydrogen bonds | Hypohalous acids | Phosphine derivatives | NONCOVALENT INTERACTION REGIONS | CENTER-DOT-N | DIMERS | CH3 | HOCL | SPECTROSCOPY | ADAPTED PERTURBATION-THEORY | ENERGIES | Hydrogen
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 01/2015, Volume 620, pp. 7 - 12
•Competition between tetrel and chalcogen bonds depends on the nature of X in F2CX (X = Se and Te).•Negative cooperativity between tetrel and chalcogen bonds... 
DOT-Y X | SIGMA-HOLE | PI INTERACTIONS | INTRAMOLECULAR HYDROGEN-BONDS | PNICOGEN BOND | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | HALOGEN | BETA-DONOR BONDS | THEORETICAL INVESTIGATIONS | MOLECULES
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2016, Volume 659, pp. 196 - 202
[Display omitted] •A novel σ-hole bond is reported.•Interaction energies of the resuliting complexes are between −2.72 and −7.05kcal/mol.•The formation of an... 
Molecular electrostatic potential | Ab initio | NBO | Cooperativity | QTAIM | HYDROGEN-BOND | CENTER-DOT-N | TETREL BOND | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NONCOVALENT INTERACTIONS | CHALCOGEN BOND | PNICOGEN BOND | HALOGEN BOND | COMPLEXES X | Bonds | Analysis | Quantum theory
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 01/2015, Volume 119, Issue 3, pp. 535 - 541
Journal Article
Structural Chemistry, ISSN 1040-0400, 8/2019, Volume 30, Issue 4, pp. 1141 - 1152
Journal Article
ChemPhysChem, ISSN 1439-4235, 04/2012, Volume 13, Issue 5, pp. 1205 - 1212
We analyze the interplay between pnicogen‐bonding and halogen‐bonding interactions in the XClFH2PNH3 (X=F, OH, CN, NC, and FCC) complex at the... 
halogen bonds | computational chemistry | pnicogen bonds | cooperative effects | electrostatic interactions | CATION-PI | HYDROGEN-BOND | SIGMA-HOLE | CENTER-DOT-O | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHARGE-DENSITY | NONCOVALENT INTERACTION | HYPOHALOUS ACIDS | COOPERATIVITY
Journal Article
Molecular Physics, ISSN 0026-8976, 12/2015, Volume 113, Issue 23, pp. 3703 - 3711
Covalently bonded atoms of Groups IV-VII tend to have anisotropic charge distributions, the electronic densities being less on the extensions of the bonds... 
halogen bond | electrostatic potential | non-covalent bond | chalcogen bond | pnicogen bond
Journal Article