Results 161 to 170 of about 1,312 (193)

Real life proton donor and acceptor strengths: a new use for LSER

Journal de Chimie Physique, 1992
A Study of the "critical quartet" of partitioning systems has shown features not revealed by any previous LSER analysis. In particular, we demonstrate that the number of lone pairs is important for proton acceptors, and that the zero must be established ...
D Leahy, J Morris, P Taylor, A Wait
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Rationalizing hydrogen bond solvation with Kamlet–Taft LSER and molecular torsion balances

Physical Chemistry Chemical Physics, 2023
The Kamlet–Taft solvation model partitioned experimental solvent effects on intramolecular hydrogen bonding into electrostatic and dispersion terms, revealing their relative contributions to the folding preference of a molecular torsion balance.
Bright U. Emenike, Arzu Sevimler, Amiel Farshadmand, Armando J. Roman   +3 more
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LSER in the allylation of morpholine

Reaction Kinetics and Catalysis Letters, 2009
The second order rate constants of allylation of morpholine are obtained conductometrically in different protic and aprotic solvents in the temperature range 303–318K. Correlation of the rate data with different solvent parameters indicates that, the reaction rate is simultaneously influenced by the hydrogen bond donor ability (α), nucelophilicity (B ...
Thangallapally Devender, Prerepa Manikyamba   +1 more
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Caracterisation of deNOx and deN2O catalysts with LSER modelisation (Linear solvation energy relationship) : structure-property study

, 2008
Cette étude présente la caractérisation de catalyseurs deNOx ou deN2O en termes d’une relation structure-propriétés. Ceci afin de comprendre les interactions intervenant entre les catalyseurs et les espèces gazeuses présentes dans le système étudié et d’aider à la formulation de ces matériaux. Cette modélisation est réalisée par l’approche LSER (Linear
Muller, Sébastien
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New method to determine LSER parameters

Chromatographia, 2003
New method was developed to determining ∑β 2 H andπ 2 H descriptors of the linear solvation energy relationship (LSER) with micelle-water partition coefficient obtained using micellar liquid chromatography (MLC ...
F. Mutelet, M. H. Guermouche, M. Rogalski   +2 more
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Characterization of Sorption Mechanisms of VOCs with Organobentonites Using a LSER Approach

Environmental Science & Technology, 2003
To fully utilize the sorption traits of organobentonites to control volatile organic compounds (VOCs) pollution, the sorption mechanisms of VOCs with organobentonites need to be understood adequately. The sorption of VOCs as vapors to a typical organobentonite, modified with cetyltrimethylammonium bromide (CTMAB-bentonite), was characterized using a ...
Senlin, Tian, Lizhong, Zhu, Yao, Shi
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Experimental Determination of LSER Parameters for a Set of 76 Diverse Pesticides and Pharmaceuticals

Environmental Science & Technology, 2008
Linear solvation energy relationships (LSERs) have more recently been proposed as the method of choice to describe and/or predict the partitioning behavior of neutral organic compounds over a large range of environmental matrices and for a broad variety of compounds in a consistent manner.
Tülp, Holger C., Goss, Kai-Uwe, Schwarzenbach, René P., Fenner, Kathrin   +3 more
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The characterization of nitrogen-enriched activated carbons by IR, XPS and LSER methods

Carbon, 2002
The aim of this work is to study the efficiency of the nitrogen enrichment by urea of lignites and the induced changes of the adsorptive properties towards volatile organic compounds (VOCs) of the activated carbons derived from these modified precursors.
Philippe Burg, Peggy Fydrych, Denise Cagniant, Gérard Nanse, Jan Bimer, Anna Jankowska   +5 more
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Partial solvation parameters and LSER molecular descriptors

The Journal of Chemical Thermodynamics, 2012
Abstract The partial solvation parameters (PSP) have been defined recently, on the basis of the insight derived from modern quantum chemical calculations, in an effort to overcome some of the inherent restrictions of the original definition of solubility parameter and expand its range of applications.
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Linear solvation energy relationship (LSER) characterization of the normal phase retention mechanism on hypercrosslinked polystyrenes

Journal of Chromatography A, 2018
Linear solvation energy relationships (LSERs) were applied to retention on hypercrosslinked polystyrene on silica (HC-Tol) to elucidate the type and relative importance of molecular interactions between model solutes and the HC-Tol stationary phase. Classical amino phase and another hypercrosslinked phase (5-HGN) were used as reference columns. On both
Di, Wu, Ping, Jiang, Charles A, Lucy
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