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Topics in Current Chemistry, ISSN 0340-1022, 2014, Volume 358, pp. 19 - 42
Journal Article
ChemPhysChem, ISSN 1439-4235, 08/2015, Volume 16, Issue 12, pp. 2496 - 2517
Non‐covalent interactions play a crucial role in (supramolecular) chemistry and much of biology. Supramolecular forces can indeed determine the structure and... 
σ‐hole | non‐covalent interactions | supramolecular chemistry | π‐hole | π-hole | non-covalent interactions | σ-hole
Journal Article
Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, 03/2020, Volume 497, p. 165986
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2016, Volume 654, pp. 23 - 28
In this work, a new σ-hole interaction formed between ZOF (Z = Kr and Xe) as the Lewis acid and a series of metal-hydrides HMX (M = Be, Mg, Zn and X = H, F,... 
MEP | NBO | Noncovalent interaction | QTAIM | σ-hole
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 05/2015, Volume 628, pp. 71 - 75
The possibility of formation of cyclic (SHX) complexes is investigated by ab initio MP2/aug-cc-pVTZ calculations, where X = F, Cl, CN, NC, CCH, OH, OCH and NH... 
Ab initio | AIM | σ-Hole | Electrostatic potential | Chalcogen bond
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 10/2012, Volume 998, pp. 2 - 8
Molecular surface electrostatic potentials of SeCl reflect the anisotropies of the electronic densities of both the selenium (left) and chlorines (right) in... 
σ-Hole bonding | Halogen bonding | Hydrogen bonding | Dispersion | Electrostatics/polarization | Electrostatic potentials
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 06/2016, Volume 654, pp. 23 - 28
In this work, a new -hole interaction formed between ZOF (Z = Kr and Xe) as the Lewis acid and a series of metal-hydrides HMX (M = Be, Mg, Zn and X = H, F, CN,... 
MEP | NBO | Noncovalent interaction | QTAIM | σ-hole
Journal Article
Molecular Physics, ISSN 0026-8976, 01/2018, Volume 116, Issue 2, pp. 222 - 230
Ab initio calculations have been performed for the complexes of cyanoacetaldehyde (CA) with TH 3 F (T = C, Si, Ge and Sn) and F 2 TO (T = C and Si). The σ-hole... 
Cyanoacetaldehyde | σ-hole tetrel bonds | π-hole tetrel bonds
Journal Article
Molecular Physics, ISSN 0026-8976, 05/2016, Volume 114, Issue 9, pp. 1528 - 1538
Journal Article
Journal of Fluorine Chemistry, ISSN 0022-1139, 03/2018, Volume 207, pp. 38 - 44
An ab initio calculation has been performed for the complexes of F C[dbnd]CFTF (T[dbnd]C, Si, and Ge) with three Lewis bases including H CO, H O, and NH . Most... 
σ-Hole tetrel bond | Substitution | Hybridization | π-Hole tetrel bond
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
Molecular Physics, ISSN 0026-8976, 02/2019, Volume 117, Issue 3, pp. 251 - 259
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 2007, Volume 107, Issue 15, pp. 3046 - 3052
In certain molecular environments, a covalently‐bonded atom from Groups V–VII may have a region of significantly‐positive electrostatic potential on its outer... 
σ‐hole bonding | hydrogen bonding | directional noncovalent interactions | electrostatic potentials | interaction energies | Interaction energies | σ-hole bonding | Directional noncovalent interactions | Hydrogen bonding | Electrostatic potentials
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 02/2020, Volume 404, p. 213112
Following the systematic nomenclature recommended by the IUPAC for other π,σ-hole interactions, a nobel gas (or aerogen) bond (NgB) is defined as the... 
Crystal growth | Noble gas interactions | σ-Hole interactions | π-Hole interactions | Supramolecular chemistry
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 01/2020, Volume 403, p. 213084
Organic diselenides are nowadays investigated for pharmaceutical applications, as well as in material science in molecular (semi)conductors. In both... 
σ-Hole interaction | Diselenide | Anion recognition | Selenocyanate | Conducting materials | Chalcogen bond
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2016, Volume 37, Issue 14, pp. 1321 - 1327
The σ‐hole of M2H6 (M = Al, Ga, In) and π‐hole of MH3 (M = Al, Ga, In) were discovered and analyzed, the bimolecular complexes M2H6···NH3 and MH3···N2P2F4 (M =... 
noncovalent interaction | group III | σ‐hole interaction | π‐hole interaction | σ-hole interaction | π-hole interaction
Journal Article