Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
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Wormholes in chemical space connecting torus knot and torus link pi-electron density topologiesSynthesis, Structural Analysis, and Properties of [8]CirculenesAlternating syn-anti bacteriochlorophylls form concentric helical nanotubes in chlorosomesPlanar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiumsQuadrannulene: A Nonclassical Fullerene FragmentTaking the Aromaticity out of Aromatic InteractionsDeciphering aromaticity in porphyrinoids via adaptive natural density partitioningThe 4,5,6-triphospha[3]radialene dianion: a phosphorus analogue of the deltate dianion. A NICS(0)πzz examination of their aromaticityPolynitro-functionalized Dipyrazolo-1,3,5-triazinanes: Energetic Polycyclization toward High Density and Excellent Molecular Stability.Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymersIn situ NMR spectroscopy of supercapacitors: insight into the charge storage mechanism.Dynamical behavior of Borospherene: A Nanobubble.Synthesis and structural data of tetrabenzo[8]circuleneWater and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon materials.Synthesis of aromatic aza-metallapentalenes from metallabenzene via sequential ring contraction/annulation.Inverted sapphyrin: a new family of doubly N-confused expanded porphyrins.Experimental and theoretical characterization of MSi16(-), MGe16(-), MSn16(-), and MPb16(-) (M = Ti, Zr, and Hf): the role of cage aromaticity.Nuclear magnetic resonance of hydrogen molecules trapped inside C70 fullerene cagesDearomatization strategies in the synthesis of complex natural productsUV-photoelectron spectroscopy of BN indoles: experimental and computational electronic structure analysisA tricyclic aromatic isomer of hexasilabenzene.Alder-ene reaction: aromaticity and activation-strain analysis.Multi-decker tricarbonyl-bridged sandwich complexes of transition metals: structure, stability and electron-counting rules.Mechanism of the Swern oxidation: significant deviations from transition state theory.Quantification of thermal ring flexibilities of aromatic and heteroaromatic compoundsImpact of ground- and excited-state aromaticity on cyclopentadiene and silole excitation energies and excited-state polarities.Pyridoxine-derived organoselenium compounds with glutathione peroxidase-like and chain-breaking antioxidant activity.Substituent Effects in π-Stacking of Histidine on Functionalized-SWNT and GrapheneRevisiting Aromaticity and Chemical Bonding of Fluorinated Benzene DerivativesSpontaneous Formation of an Air-Stable Radical upon the Direct Fusion of Diphenylmethane to a Triarylporphyrin.Zinc chlorins for artificial light-harvesting self-assemble into antiparallel stacks forming a microcrystalline solid-state materialBoron-substituted 1,3-dihydro-1,3-azaborines: synthesis, structure, and evaluation of aromaticity.6-Azahemiporphycene: a new member of the porphyrinoid family.Stacked antiaromatic porphyrins.Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character.Differences between the elimination of early and late transition metals: DFT mechanistic insights into the titanium-catalyzed synthesis of pyrroles from alkynes and diazenes.Zintl ions, cage compounds, and intermetalloid clusters of Group 14 and Group 15 elements.The chemistry of localized singlet 1,3-diradicals (biradicals): from putative intermediates to persistent species and unusual molecules with a π-single bonded character.Recent advances in computational actinoid chemistry.Beyond click chemistry - supramolecular interactions of 1,2,3-triazoles.
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P2860
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
description
im Oktober 2005 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 01 October 2005
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 2005
@uk
name
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
@en
Nucleus-Independent Chemical Shifts
@nl
type
label
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
@en
Nucleus-Independent Chemical Shifts
@nl
prefLabel
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
@en
Nucleus-Independent Chemical Shifts
@nl
P50
P356
P1433
P1476
Nucleus-independent chemical shifts (NICS) as an aromaticity criterion
@en
P2093
Paul von Ragué Schleyer
P304
P356
10.1021/CR030088+
P577
2005-10-01T00:00:00Z