Results 21 to 30 of about 134,654 (299)

Study of Substituent Effect on Properties of Platinum(II) Porphyrin Semiconductor Using Density Functional Theory

open access: yesIndonesian Journal of Chemistry, 2018
Study of substituent effect on properties of platinum(II) porphyrin had been performed using DFT method. The aim of the study is to investigate the effect of substituent group on the electronic and optical properties of the platinum(II) porphyrin ...
Harno Dwi Pranowo   +3 more
doaj   +1 more source

Determination of the degree of substitution (DS) of mixed cellulose esters by elemental analysis [PDF]

open access: yes, 2001
Equations for transforming the results of elemental analysis (EA) into degree of substitution (DS) values for aliphatic cellulose esters were developed.
Borredon, Marie-Elisabeth   +2 more
core   +3 more sources

Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1,4-pentadienes. Part I. [PDF]

open access: yesJournal of the Serbian Chemical Society, 2003
The principles of linear free energy relationships were applied to the 13C substituent chemical shifts (SCS) of the carbon atoms in the unsaturated chain of 3-methylene-4-substituted-1,4-pentadienes.
IVAN O. JURANIC   +5 more
doaj   +3 more sources

The effect of the amido substituent on polymer molecular weight in propene homopolymerisation by titanium cyclopentadienyl-amide catalysts [PDF]

open access: yes, 2000
In the homopolymerisation of propene by the cyclopentadienyl-amide titanium catalyst systems [η5,η1-C5H4(CH2)2NR]TiCl2/MAO and [η5,η1-C5H4(CH2)2NR]Ti(CH2Ph)2/B(C6F5)3 (R = tBu, iPr, Me), the catalyst with the smallest substituent (Me) on the amido moiety
Hessen, Bart,   +2 more
core   +1 more source

Tuning the electronic, photophysical and charge transfer properties of small D-A molecules based on Thienopyrazine-terthienyls by changing the donor fragment: A DFT study [PDF]

open access: yes, 2017
Indexación: Scopus.Four acceptor-donor organic conjugated molecules based on thieno[3,4-b]pyrazine-terthienyls were analyzed in order to explore the effect of the donor substituent on their molecular structures, electronic and optical properties. Density
Aicha, Y.A.   +7 more
core   +1 more source

ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones [PDF]

open access: yesJournal of the Serbian Chemical Society, 2009
Twelve 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones were investigated by tandem mass spectrometry using positive as well as negative electrospray ionization.
BRATISLAV Ž. JOVANOVIĆ   +3 more
doaj   +3 more sources

A multiswitchable poly(terthiophene) bearing a spiropyran functionality: understanding photo and electrochemical control [PDF]

open access: yes, 2011
An electroactive nitrospiropyran-substituted polyterthiophene, 2-(3,3′′-dimethylindoline-6′-nitrobenzospiropyranyl)ethyl 4,4′′-didecyloxy-2,2′:5′,2′′-terthiophene-3′-acetate, has been synthesized for the first time.
Breukers, Robert   +10 more
core   +1 more source

Changes in the electronic structure and properties of graphene induced by molecular charge-transfer [PDF]

open access: yes, 2008
Interaction with electron donor and acceptor molecules such as aniline and nitrobenzene brings about marked changes in the Raman spectrum and the electronic structure of graphene, prepared by the exfoliation of graphitic oxide.Comment: 13 pages, 4 ...
Das, Barun   +3 more
core   +1 more source

From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization [PDF]

open access: yes, 2018
In order to extend the physical length of hole delocalization in a molecular wire, chromophores of increasing size are often desired. However, the effect of size on the efficacy and mechanism of hole delocalization remains elusive.
Ivanov, Maxim V.   +2 more
core   +3 more sources

Effect of substituent position on assembly of compounds bearing ortho/para over meta directing groups

open access: yesResults in Chemistry
This research investigated the impact of substituent location on intermolecular interactions and crystal packing. A class of N-(dichlorophenyl)-2-pyrazincarboxamide derivatives were synthesized and characterized: 2,5-dichloro (2,5-diCl), 3,4-dichloro (3 ...
Vahid Amani   +3 more
doaj   +1 more source

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