Results 31 to 40 of about 443,970 (323)

Supramolecular aromaticity

open access: yesJournal of Molecular Structure, 2014
We report experimental and theoretical evidences for supramolecular aromaticity as a new concept to be widely used in researches about molecular crystals. CSD survey regarding frequently encountered resonance-assisted H-bonds (RAHBs) in formic acid, formamide, formimidamide, formic acid-formamide, and formamide-formimidamide dimers shows that ...
Karabiyik, Hande   +2 more
openaire   +3 more sources

Aromaticidade: evolução histórica do conceito e critérios quantitativos Aromaticity: historical evolution of the concept and quantitative criteria

open access: yesQuímica 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
doaj   +1 more source

Characterization of the Structure of Saudi Crude Asphaltenes by X-ray Diffraction [PDF]

open access: yes, 1997
Structural characterization studies have been carried out on four commercial Saudi Arabian crude oils. The aromaticity and crystallite parameters of the asphaltenes were studied by X-ray diffraction methods and compared to the average structural ...
Ali, Mohammad F.   +2 more
core   +4 more sources

Photoinduced Changes in Aromaticity Facilitate Electrocyclization of Dithienylbenzene Switches

open access: yesJournal of the American Chemical Society, 2020
The concepts of excited-state aromaticity and antiaromaticity have in recent years with increasing frequency been invoked to rationalize the photochemistry of cyclic conjugated organic compounds, with the long-term goal of using these concepts to improve
Baswanth Oruganti   +4 more
semanticscholar   +1 more source

Influence of production variables and starting material on charcoal stable isotopic and molecular characteristics [PDF]

open access: yes, 2008
We present a systematic study on the effect of starting species, gas composition, temperature, particle size and duration of heating upon the molecular and stable isotope composition of high density (mangrove) and low density (pine) wood.
Alemany   +76 more
core   +1 more source

Non-aromatic annulene-based aggregation-induced emission system via aromaticity reversal process

open access: yesNature Communications, 2019
Aggregation-induced emission (AIE) is a photophysical phenomenon correlated closely with the excited-state intramolecular motions. Although AIE has attracted increasing attention due to the significant applications in biomedical and optoelectronics, an ...
Zheng Zhao   +20 more
semanticscholar   +1 more source

Controls on the composition and lability of dissolved organic matter in Siberia's Kolyma River basin [PDF]

open access: yes, 2012
High-latitude northern rivers export globally significant quantities of dissolved organic carbon (DOC) to the Arctic Ocean. Climate change, and its associated impacts on hydrology and potential mobilization of ancient organic matter from permafrost, is ...
A. Davydova   +84 more
core   +1 more source

Сyclo[18]Carbon: Insight into Electronic Structure, Aromaticity and Surface Coupling.

open access: yesJournal of Physical Chemistry Letters, 2019
Cyclo[18]carbon (C18) is studied computationally at density functional theory (DFT) and ab initio levels to obtain insights into its electronic structure, aromaticity, and adsorption properties on the NaCl surface.
G. Baryshnikov   +4 more
semanticscholar   +1 more source

Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?

open access: yesMolecules, 2020
Systematic scrutiny is carried out of the ability of multicentre bond indices and the NOEL-based similarity index dAB to serve as excited-state aromaticity criteria.
Robert Ponec   +2 more
doaj   +1 more source

Acoplanarity, Aromaticity, Chirality, and Helical Twisting Power of Chlorin e6 13(N)-Methylamide-15,17-dimethyl Ester Complexes: Effect of a Metal

open access: yesInorganics, 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
doaj   +1 more source

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