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
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Determination of the degree of substitution (DS) of mixed cellulose esters by elemental analysis [PDF]
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
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Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1,4-pentadienes. Part I. [PDF]
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
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The effect of the amido substituent on polymer molecular weight in propene homopolymerisation by titanium cyclopentadienyl-amide catalysts [PDF]
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
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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]
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
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ESI-MS spectra of 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridinones [PDF]
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
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A multiswitchable poly(terthiophene) bearing a spiropyran functionality: understanding photo and electrochemical control [PDF]
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
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Changes in the electronic structure and properties of graphene induced by molecular charge-transfer [PDF]
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
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From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization [PDF]
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
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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
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