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Decoding the Benzaldehyde Pharmacophore: Structural Determinants for Enhancing Antibacterial Efficacy and Food Safety. [PDF]
FoodsArunachalam K +4 more
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Comparative Review of <i>O</i>,<i>O</i>'-, <i>N</i>,<i>O</i>-, and <i>N</i>,<i>N</i>'-Bidentate Ligands: Structural and Electronic Properties of β-Diketones, Enaminones, and β-Diketiminates. [PDF]
MoleculesConradie J.
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Effect of meta-substituents of phenolic antioxidants—proposal of secondary substituent effect
Polymer Degradation and Stability, 2002Abstract Phenolic antioxidants were studied extensively in the 1960s. During that time, the action mechanism might have seemed to be clarified completely. Based on our recent study, however, there remain some unclear points on the interpretation of substituent effects.
Tetsuto Kajiyama, Yasukazu Ohkatsu
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The Journal of Physical Chemistry A, 2005
Inductive and resonance effects of different substituents (CH3, Cl, NH3, CN, NO2) on the reactivity of the nitrogen and oxygen centers of several saturated and unsaturated hydroxylamine derivates toward hard and soft electrophiles are analyzed in terms of various conceptual DFT based descriptors calculated using B3LYP/6-311G** method.
Pratim K, Chattaraj +3 more
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Inductive and resonance effects of different substituents (CH3, Cl, NH3, CN, NO2) on the reactivity of the nitrogen and oxygen centers of several saturated and unsaturated hydroxylamine derivates toward hard and soft electrophiles are analyzed in terms of various conceptual DFT based descriptors calculated using B3LYP/6-311G** method.
Pratim K, Chattaraj +3 more
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Stereoelectronic Substituent Effects
ChemInform, 2006AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Bols, Mikael, Jensen, Henrik Helligsø
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Collection of Czechoslovak Chemical Communications, 1995
The paper deals with chemometric analysis of the inductive effect. The notion of inductive effect is discussed, and unambiguous definitions are given for the notions of triad: reaction centre-basic skeleton-substituent, and the therewith connected definitions of inductive effect.
Oldřich Pytela, Aleš Halama
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The paper deals with chemometric analysis of the inductive effect. The notion of inductive effect is discussed, and unambiguous definitions are given for the notions of triad: reaction centre-basic skeleton-substituent, and the therewith connected definitions of inductive effect.
Oldřich Pytela, Aleš Halama
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H-Bonding-Assisted Substituent Effect
The Journal of Organic Chemistry, 2010In this paper we investigate the influence of intramolecular noncovalent interaction, i.e., H-bonding and Li-bonding, on the properties of substituents communicating through the resonance (mesomeric) effect in such molecular systems as salicylaldehyde, o-hydroxy Schiff base, o-nitrosophenol, and their lithium analogues.
Tadeusz M, Krygowski +2 more
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