Results 41 to 50 of about 443,970 (323)

Novel Synthetic Approach to Heteroatom Doped Polycyclic Aromatic Hydrocarbons: Optimizing the Bottom-Up Approach to Atomically Precise Doped Nanographenes

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, Ilaria Perini, Barbara Richichi, Stefano Cicchi   +3 more
doaj   +1 more source

Dissolved carbon and CDOM in lake ice and underlying waters along a salinity gradient in shallow lakes of Northeast China [PDF]

, 2019
The variations of DOC and DIC concentrations in lake ice and underlying waters were examined in 40 shallow lakes across the Songnen Plain, Northeast China.
Du, Jia, Jacinthe, Pierre-André, Song, Kaishan, Wen, Zhidan, Zhao, Ying   +4 more
core   +1 more source

Global Aromaticity at the Nanoscale

Nature Chemistry, 2019
Aromaticity can be defined by the ability of a molecule to sustain a ring current when placed in a magnetic field. Hückel’s rule states that molecular rings with [4 n  + 2] π-electrons are aromatic, with an induced magnetization that opposes the external
Michel Rickhaus, M. Jirásek, Lara Tejerina, Henrik Gotfredsen, Martin D. Peeks, Renée Haver, Hua-Wei Jiang, T. Claridge, H. Anderson   +8 more
semanticscholar   +1 more source

Too Persistent to Resist: Aromaticity in 16e Osmapentalene Radicals Survives Regardless of Redox

Chemistry
As one of the most important concepts in organic chemistry, aromaticity has attracted considerable attention from both theoretical and experimental chemists.
Shijie Pan, Jun Yan, Weitang Li, Zhigang Shuai, Jun Zhu   +4 more
doaj   +1 more source

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, Perić Marko, Zlatar Matija, Gruden-Pavlović Maja   +3 more
doaj   +1 more source

Nucleus-Independent Chemical Shift (NICS) as a Criterion for the Design of New Antifungal Benzofuranones

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, Marco Martín González-Chávez, Francisco Méndez, Arlette Richaud, Rodolfo González-Chávez, Luis Enrique Ojeda-Fuentes, Perla del Carmen Niño-Moreno, Roberto Martínez   +7 more
doaj   +1 more source

Aromaticity in a Surface Deposited Cluster: Pd$_4$ on TiO$_2$ (110)

, 2011
We report the presence of \sigma-aromaticity in a surface deposited cluster, Pd$_4$ on TiO$_2$ (110). In the gas phase, Pd$_4$ adopts a tetrahedral structure. However, surface binding promotes a flat, \sigma-aromatic cluster.
Alexandrova A. N., Alexandrova A. N., Alexandrova A. N., Anastassia N. Alexandrova, Averkiev B. B., Boldyrev A. I., Boldyrev A. I., Duncan W. R., Fowler P. W., Fowler P. W., Frank M., Fu Q., Hakkinen H., Haruta M., Heiz U., Herzing A. A., Jin Zhang, Juselius J., Kaden W. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. I., Lee S., Li X., Li X., Li X. W., Li X. W., Long R., Lopez N., Meiwes-Broer K.-H., Moruzzi V. L., Murahashi T., Nolte P., Remediakis L., Robinson G. H., Röttgen M. A., Sanchez A., Sergeeva A. P., Sergeeva A. P., Sergeeva A. P., Sergeeva A. P., Vajda S., Valden M., Valden M., Yoon B., Zhai H.-J., Zhai Y., Zhang J., Zubarev D. Yu., Zubarev D. Yu.   +51 more
core   +1 more source

A critical review on sustainable biochar system through gasification: energy and environmental applications [PDF]

, 2017
This review lays great emphasis on production and characteristics of biochar through gasification. Specifically, the physicochemical properties and yield of biochar through the diverse gasification conditions associated with various types of biomass were
Chen, Season S., Kwon, Eilhann E., Lee, Jechan, Ok, Yong Sik, Tsang, Daniel C.W., Wang, Chi-Hwa, You, Siming   +6 more
core   +1 more source

Exploiting excited-state aromaticity to design highly stable singlet fission materials.

Journal of the American Chemical Society, 2019
Singlet fission, the process of forming two triplet excitons from one photon, is a characteristic reserved for only a handful of organic molecules due to the atypical energetic requirement for low energy excited triplet states.
Kealan J. Fallon, P. Budden, E. Salvadori, A. Ganose, Christopher N. Savory, Lissa Eyre, Simon A Dowland, Qianxiang Ai, Stephen Goodlett, C. Risko, D. Scanlon, C. W. Kay, A. Rao, R. Friend, A. Musser, Hugo Bronstein   +15 more
semanticscholar   +1 more source

Inter-cluster reactivity of Metallo-aromatic and anti-aromatic Compounds and Their Applications in Molecular Electronics: A Theoretical Investigation

, 2005
Local reactivity descriptors such as the condensed local softness and Fukui function have been employed to investigate the inter-cluster reactivity of the metallo-aromatic (Al4Li- and Al4Na-) and anti-aromatic (Al4Li4 and Al4Na4) compounds.
Aromaticity, Chako S., Chandra A. K., Chen Z., Curioni A., Curioni A., Datta A., De Proft F., De Proft F., For, Fowler P. W., Fowler P. W., Geerlings P., Haskal E. I., Havenith R. W. A., Hohenberg K., Kido J., Krishnamurty S., Kumar V., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Li X., Li X., Lowdin P. O., Lowdin P. O., Mendez F., Nembach E., Nguyen L. T., Parr R. G., Parr R. G., Parr R. G., Parr R. G., Parr R. G., Pearson R. G., Pearson R. G., Pearson R. G., Perdew J. P., Ritter S. K., Roy R. K., Schmidt M. W., Shetty S., Shetty S., Tang J. X., Yang W., Yang W., Zhai H. J., Zhai H. J., Zhang Y.   +52 more
core   +1 more source