Zobrazeno 1 - 10
of 158
pro vyhledávání: '"Peter B. Karadakov"'
Autor:
Peter B. Karadakov
Publikováno v:
Chemistry, Vol 3, Iss 3, Pp 861-872 (2021)
Bonding and aromaticity in the bowl-shaped C5v and planar D5h geometries of corannulene and the planar D6h geometry of coronene are investigated using 3D isosurfaces and 2D contour plots of the isotropic magnetic shielding σiso(r) and, for planar ge
Externí odkaz:
https://doaj.org/article/eb736900c1cb44dbbabcce1683aeaa66
Publikováno v:
Molecules, Vol 25, Iss 20, p 4791 (2020)
Systematic scrutiny is carried out of the ability of multicentre bond indices and the NOEL-based similarity index dAB to serve as excited-state aromaticity criteria. These indices were calculated using state-optimized complete active-space self-consi
Externí odkaz:
https://doaj.org/article/2064dfe2d53e49648d387262ae9e8f48
Publikováno v:
The Journal of Physical Chemistry A. 127:861-869
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e07dc2020058bb8c072bddf7b0103f6
https://doi.org/10.1021/acs.jpca.2c06450
https://doi.org/10.1021/acs.jpca.2c06450
Autor:
Linda J. McAllister, James Taylor, Natalie E. Pridmore, Alice J. McEllin, Adrian C. Whitwood, Peter B. Karadakov, Duncan W. Bruce
Publikováno v:
CrystEngComm. 25:1683-1692
Strongly halogen-bonded complexes form between 4-alkoxyphenyl-4-pyridines and iodine as well as the interhalogens ICl and IBr. Examples are characterised by single crystal X-ray crystallography and most complexes show a liquid-crystalline SmA phase.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8f70b28f115337d0ceb665c5022e582
https://doi.org/10.1039/d2ce01555b
https://doi.org/10.1039/d2ce01555b
Publikováno v:
The Journal of Physical Chemistry A.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8257439c942f4ce3d00f938e302f634c
https://doi.org/10.1021/acs.jpca.3c01857
https://doi.org/10.1021/acs.jpca.3c01857
Autor:
Peter B. Karadakov
Publikováno v:
ChemPhysChem. 24
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d15eeb931a967bdd5cf66db373a2fbc1
https://doi.org/10.1002/cphc.202300226
https://doi.org/10.1002/cphc.202300226
Autor:
Peter B. Karadakov, Tom Riley
Publikováno v:
Chemistry – A European Journal. 29
Magnetic shielding studies demonstrate that successive hydrogenation of NiII norcorrole (NiNc), a stable molecule combining aromatic and antiaromatic features, first weakens and then eliminates the central antiaromatic region, even though the NiNc an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cdbd1e79001bd654fed61ece7d85af8
https://doi.org/10.1002/chem.202203400
https://doi.org/10.1002/chem.202203400
Autor:
Peter B. Karadakov, Brett VanVeller
Publikováno v:
Chemical Communications. 57:9504-9513
Chemists are trained to recognize aromaticity semi-intuitively, using pictures of resonance structures and Frost-Musulin diagrams, or simple electron-counting rules such as Huckel's 4n + 2/4n rule. To quantify aromaticity one can use various aromatic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a67c670c6dcd5c10adae156352da64b0
https://doi.org/10.1039/d1cc03701c
https://doi.org/10.1039/d1cc03701c
Autor:
Peter B. Karadakov, Duncan W. Bruce, Alex Heyam, Christopher A. Goult, Pedro Aguiar, Imelda H. Silalahi
Publikováno v:
Organometallics. 39:4723-4734
The complex bis(tetrabutylammonium) (trans-μ2:η2,η2-1,3-butadiene)bis(trichloroplatinate(II)), identified from its X-ray single-crystal structure, is formed when tetrabutylammonium hexachloroplatin...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b706ef0928406ef011403b2c9e54188
https://doi.org/10.1021/acs.organomet.0c00695
https://doi.org/10.1021/acs.organomet.0c00695
Publikováno v:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a98c91db5366b9ef3bd0073b8ac2577d
