Results 11 to 20 of about 8,902 (203)
NICS Difference: Determination of Relative Aromaticity
, 2019 Aromatic compounds commonly occur in pharmaceuticals, fuel additives, polymers, etc. Key characteristics that make up an aromatic structure are the delocalization of pi, particular stability of the structure, and the distinct electronic field generated ...
Barrera, Joseph
core +23 more sources
AIP Conference Proceedings, 2012 A ring current model describing the flow of delocalized electrons, induced in unsaturated molecules by a magnetic field perpendicular to the molecular plane, has been developed to define simple and practical indices of current strength, which provide a reliable measure of aromaticity on the magnetic criterion.
Stefano Pelloni +3 more
openaire +4 more sources
NICS Difference: Determination of Relative Aromaticity
, 2018 Aromatic compounds commonly occur in pharmaceuticals, fuel additives, polymers, etc. Key characteristics that make up an aromatic structure are the delocalization of pi, particular stability of the structure, and the distinct electronic field generated ...
Berrera, Joseph, Barrera, Joseph
core +8 more sources
Linearly Expanded Azulenes in the S 0 , T 1 , and Qu 1 States: A Unified View of Electronic Structure and Aromaticity. [PDF]
J Comput ChemLinear expansion of azulene leads to markedly different electronic behavior from that of the corresponding acenes, including an earlier emergence of open‐shell character. Simple resonance structures provide an intuitive framework for understanding these trends and their evolution with molecular size.
Sarkar P, Almog I, Gershoni-Poranne R.
europepmc +2 more sources
Silicon-Bridged Homocyclopentadienides: Metal-Assisted Facile Ring Expansion of Cyclopentadienide by Transient Imino(Metallophosphino)Silylenes. [PDF]
Angew Chem Int Ed EnglWe demonstrate the facile aromatic C─C bond cleavage of cyclopentadienide mediated by transient imino(metallophosphino)silylenes, enabling the transformation of an aromatic system into a homoaromatic species. The steric bulk of the phosphino substituent, together with the weak interaction between the coinage metal and the cyclopentadienide ligand, are ...
Zhu H, Liu X, Dong S, Zhu J, Inoue S.
europepmc +3 more sources
Discrete Applied Mathematics, 2017 A graph is NIC-planar if it admits a drawing in the plane with at most one crossing per edge and such that two pairs of crossing edges share at most one common end vertex. NIC-planarity generalizes IC-planarity, which allows a vertex to be incident to at most one crossing edge, and specializes 1-planarity, which only requires at most one crossing per ...
Christian Bachmaier +4 more
openaire +3 more sources
Macedonian Journal of Chemistry and Chemical Engineering, 2012 Within a systematic study of cyclic conjugation in the benzo-annelated derivatives of acenaphthylene and fluoranthene, a general regularity was discovered, named phenyl-cyclopentadienyl rule (PCP rule).
Jelena Đurđević, Ivan Gutman
doaj +1 more source
Plant Production Science, 2008 The contamination of cadmium (Cd) into the food chain can be harmful because Cd causes chronic health problems. To evaluate the breeding potential reducing the Cd concentration in wheat grain, we compared Cd concentrations in 237 wheat genotypes ...
Katashi Kubo +7 more
doaj +1 more source
Atmosphere, 2023 Thermal power plants (TPPs) and national industrial complexes (NICs) are widely known as being among the major causes of changes in the concentrations of fine particulate matter (PM2.5).
Jongsik Ha, Nankyoung Moon, Jihyun Seo
doaj +1 more source
Running Neural Networks on the NIC
CoRR, 2020 In this paper we show that the data plane of commodity programmable (Network Interface Cards) NICs can run neural network inference tasks required by packet monitoring applications, with low overhead. This is particularly important as the data transfer costs to the host system and dedicated machine learning accelerators, e.g., GPUs, can be more ...
Siracusano, G +6 more
openaire +3 more sources