Results 41 to 50 of about 22,828 (309)
Nanoscale Research Letters, 2009 Abstract Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has remarkably similar properties to the well-known benzene.
Szwacki, N G, Weber, V, Tymczak, C J
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Química Nova, 2009 In this paper the evolution of the concept of aromaticity is discussed. It considers not only historical aspects of the aromaticity concept but also the different criteria (theoretical and experimental) that have appeared to explain the properties of the
Giovanni Finoto Caramori +1 more
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Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity
Physical Chemistry Chemical Physics, 2020 A simple model based on adjacency matrices is introduced to study the stability of hydrogenated polycyclic aromatic hydrocarbons. Aromaticity governs their relative stability having the most stable isomers the higher number of non-hydrogenated rings.
Paula Pla +3 more
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Inorganics, 2023 The experimental and theoretical study of the influence of metal complexing on geometry, aromaticity, chirality, and the ability to twist the nematic phase by complexes based on modified natural chlorin e6 was carried out.
Vladimir Burmistrov +6 more
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HOMER: A reparameterization of the harmonic oscillator model of aromaticity (HOMA) for excited states [PDF]
, 2023 Excited-state aromaticity (ESA) and antiaromaticity (ESAA) are by now well-established concepts for explaining photophysical properties and photochemical reactivities of cyclic, conjugated molecules.
Bo, Durbeej, Enrique M., Arpa
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Molecules, 2021 The success of the rational bottom-up approach to nanostructured carbon materials and the discovery of the importance of their doping with heteroatoms puts under the spotlight all synthetic organic approaches to polycyclic aromatic hydrocarbons.
Giacomo Biagiotti +3 more
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Too Persistent to Resist: Aromaticity in 16e Osmapentalene Radicals Survives Regardless of Redox
ChemistryAs one of the most important concepts in organic chemistry, aromaticity has attracted considerable attention from both theoretical and experimental chemists.
Shijie Pan +4 more
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Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene [PDF]
Journal of the Serbian Chemical Society, 2015 The aromatic/antiaromatic behavior of the cyclopentadienyl anion (Cp-), bis(η5-cyclopentadienyl)iron(II) (Fe(Cp)2), as well as of the Jahn-Teller (JT) active cyclopentadienyl radical (Cp∙) and bis(η5-cyclopentadienyl)cobalt(II) (Co(Cp)2) has ...
Anđelković Ljubica +3 more
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Molecules, 2021 The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-
María de los Ángeles Zermeño-Macías +7 more
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Study of Aromaticity in Phosphazenes
, 2010 The denition of aromaticity and aromatic character of conjugated organic and inorganic systems has been of long-standing interest to chemists. Widely different properties such as molecular geometry, stabilization energy, and magnetic properties have been
Ramasesha, S. +2 more
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