Advances in linear free energy relationships (Chapman, N.B.)
نویسندگان
چکیده
منابع مشابه
Linear free energy relationships in halogen bonds 3
Four models of halogen bonds were used to quantify this bond using the DFT B97D/6-311+G(d) computational level: para-substituted iodobenzenes, paraand meta-substituted bromobenzenes complexed with three simple Lewis bases (NH3, NCH and CNH), 1-bromo-4-substituted-bicyclo[2.2.2]octanes with NH3 and 3and 4-substituted pyridines complexed with BrCl and BrF. In addition, the combination of the para...
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ARC Centre of Excellence for Free-Radical Chemistry and Biotechnology, Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia UMR 6264 Laboratoire Chimie Provence, case 521, Universite de Provence, Avenue Escadrille Normandie Niemen, 13397 Marseille Cedex 20, France Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, Pennsylvan...
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Sorption isotherm data were determined for a set of 8 aromatic organic compounds with varying physical chemical properties in three soils with organic matter of differing quantity and composition. The primary goals of this study were to test single and multiparameter linear free energy relationships on their ability to predict the observed sorption behavior on different types of natural sorbent...
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Hydrogen bond strength in host-guest systems is modulated by many factors including preorganization, steric effects, and electronic effects. To investigate how electronic effects impact barbiturate binding in bifurcated Hamilton receptors, a library of receptors with differing electronic substituents was synthesized and (1)H NMR titrations were performed with diethyl barbital. The Hammett plot ...
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RNA cleavage transesterification is of fundamental reaction in biology that is catalyzed by both protein and RNA enzymes. In this work, a series of RNA transesterification model reactions with a wide range of leaving groups are investigated with density-functional calculations in an aqueous solvation environment in order to study linear free energy relationships (LFERs) and their connection to ...
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ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 1974
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed051pa46.3