Results 41 to 50 of about 62,639 (186)
Bis(vinylenedithio)tetrathiafulvalene analogues of BEDT-TTF
Beilstein Journal of Organic Chemistry, 2015 This review aims to give an overview of the current status of our research on the synthesis of π-electron donor bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF, ET) analogues prepared from 1,8-diketones via a ring forming reaction.
Erdal Ertas +2 more
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Delocalization in Substituted Benzene Dications: A Magnetic Point of View
ChemistryOpen, 2020 In this work, the induced magnetic field is analyzed for a series of substituted benzenes dications with formula C6R62+ (R=I, At, SeH, SeCH3, TeH, TeCH3), presumably exhibiting concentric aromaticity.
Mesías Orozco‐Ic +3 more
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Delocalization of tightly bound excitons in disordered systems
, 1999 The localization length of a low energy tightly bound electron-hole pair (excitons) is calculated by exact diagonalization for small interacting disordered systems. The exciton localization length (which corresponds to the thermal electronic conductance)
A. L. Burin +20 more
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A complementary view to the bonding pattern in the N5 +cation an electron localization function and local temperature analysis [PDF]
, 2003 Indexación: ScieloThe electron localization function (ELF), a local measure of the Pauli repulsion effect, and the local Kohn-Sham temperature analysis, which is defined within the framework of a local thermodynamics description of density functional ...
Chamorro, E. (UNAB)
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Ethyl 1-(6-chloro-3-pyridylmethyl)-5-ethoxymethyleneamino-1H-1,2,3-triazole-4-carboxylate
Acta Crystallographica Section E, 2008 In the title compound, C14H16ClN5O3, there is evidence for significant electron delocalization in the triazolyl system. Intramolecular C—H...O and intermolecular C—H...O and C—H...N hydrogen bonds stabilize the structure.
Ai-Hua Zheng +4 more
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Hyperconjugative Effect on the Electronic Wavefunctions of Ethanol
, 2008 Hyperconjugation is a basic conception of chemistry. Its straightforward effect is exhibited by the spatial delocalization characteristics of the electron density distributions or wavefunctions.
Chen, Xiangjun +8 more
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The mechanism behind SnO metallization under high pressure
Results in Physics, 2022 SnO is known to undergo metallization at ∼ 5 GPa while retaining its tetragonal symmetry. However, the mechanism of this metallization remains speculative.
Asaf Pesach +14 more
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, 2007 The von Neumann entropy for an electron in periodic, disorder and quasiperiodic quantum small-world networks(QSWNs) are studied numerically. For the disorder QSWNs, the derivative of the spectrum averaged von Neumann entropy is maximal at a certain ...
Longyan Gong, Peiqing Tong, S. Aubry
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Understanding the mechanism stabilizing intermediate spin states in Fe(II)-Porphyrin
, 2017 Spin fluctuations in Fe(II)-porphyrins are at the heart of heme-proteins functionality. Despite significant progress in porphyrin chemistry, the mechanisms that rule spin state stabilisation remain elusive.
Alavi, Ali, Manni, Giovanni Li
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, 2013 The ongoing depletion of fossil fuels has led to an intensive search for additional renewable energy sources. Solar-based technologies could provide sufficient energy to satisfy the global economic demands in the near future.
Banks, Brian P. +10 more
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