Results 231 to 240 of about 9,273,531 (285)

Chemometric Analysis of Substituent Effects. VII. Inductive Effect as a Basic Substituent Effect. Isoeffect Substituent Constant

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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Effect of meta-substituents of phenolic antioxidants—proposal of secondary substituent effect

Polymer Degradation and Stability, 2002
Abstract 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.
Yasukazu Ohkatsu
exaly   +2 more sources

Substituent effects and solvents

Journal de Chimie Physique, 1992
The source data matrix containing 428 data series describing substituent effects from meta and para position (25 substituents from both position) in water, protic and aprotic solvents was investigated by using conjugated deviation analysis and principal ...
O Pytela, M Ludwig
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The concept of substituent-induced force in the rationale of substituent effect

The Journal of Chemical Physics, 2021
Controlling the thermochemistry and kinetics of chemical reactions is a central problem in chemistry. Among factors permitting this control, the substituent effect constitutes a remarkable example. Here, we develop a model accounting for the effect of a substituent on the potential energy surface of the substrate (i.e., substituted molecule).
Miguel Ángel Fernández-González, Luis Manuel Frutos   +1 more
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Substituent Effects in the Synthesis of Heterostructures

Inorganic Chemistry, 2021
There have been a number of surprising reports of unexpected products when preparing heterostructures of Bi2Se3 with other 2D layers. These reports prompted us to explore the formation of metastable heterostructures containing Bi2Se3 using X-ray diffraction techniques to follow the reaction pathway.
Marisa A. Choffel, Taryn Mieko Kam, David C. Johnson   +2 more
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Stereoelectronic Substituent Effects

ChemInform, 2006
AbstractChemInform 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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Additivity of Substituent Effects. Core-Ionization Energies and Substituent Effects in Fluoromethylbenzenes

The Journal of Physical Chemistry A, 2009
Carbon 1s ionization energies have been measured for all of the carbon atoms in eight fluoromethylbenzenes. Enthalpies of protonation have been calculated for protonation at all of the ring carbons in the same molecules. These data together with previously reported data on fluorobenzenes and methylbenzenes provide the basis for studying the additivity ...
Thomas X, Carroll, T Darrah, Thomas, Leif J, Saethre, Knut J, Børve   +3 more
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Substituent effects. 4. Nature of substituent effects at carbonyl groups

Journal of the American Chemical Society, 1992
The effect of substituents on the properties of acyl derivatives has been examined. Geometry optimizations were carried out at the MP2/6-31G * theoretical level, followed by calculation of energies at the MP3/6-311++G ** level. The energies were studied via isodamic reactions with ethane leading to acetone and a methyl derivative.
Kenneth B. Wiberg, Christopher M. Hadad, Paul R. Rablen, Jerzy Cioslowski   +3 more
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Substituent Effects on Folding in Cyclotetraphosphane

Chemische Berichte, 1991
Ab initio quantum chemical calculations evidence a very flat potential hypersurface for folding of parent cyclotetraphosphane. This is in accord with a corresponding vibrational analysis. Electronegative substituents increase folding of the fourmembered ring system.
Schoeller, Wolfgang, BUSCH, T
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Ligand substituents effect on 10Dq

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012
Reaction of 5,6-dihydro-5,6-epoxy-1,10-phenanthroline (L) with Ni(ClO(4))(2)·6H(2)O in methanol in 3:1M proportion at room temperature yields [NiL(3)](ClO(4))(2)·2H(2)O. The X-ray crystal structure of the cation NiL(3)(2+) has been determined. Aminolysis of the three epoxide rings in NiL(3)(2+) by 4-substituted anilines in boiling water without any ...
Nirmal K, Shee, Michael G B, Drew, Dipankar, Datta   +2 more
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