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Desolvation effects on the dissociation energy of diatomic molecules:Ab initio study of the dissociation of Li-F in polar media
(Springer-Verlag, 1993)
The potential curve of the ground state dissociation of Li-F in water has been studied by a combination of a standard ab initio Hartree-Fock procedure and a perturbative reaction field approach. The electrostatic solute-solvent ...
A THEORETICAL-STUDY OF SOLVENT A Theoretical-Study Of Solvent Effects on The Relative Thermodynamic Stabilities of The Allyl+/F- and Allyl-/Li+ Ion-Pairs in Polar Media
(Elsevier, 1990)
The relative thermodynamic stabilities of several ion-pair structures, including intimate and
solvent-separated forms, in solution have been studied for the allyl +/F- and allyl- /Li + model
systems. The electrostatic ...
Gating kinetics of Ca++-activated K+ channels from rat muscle incorporated into planar lipid bilayers: Evidence for two voltage-dependent Ca2+ binding reactions
(1983)
The gating kinetics of a Ca2+-activated K+ channel from adult rat muscle plasma membrane are studied in artificial planar bilayers. Analysis of single-channel fluctuations distinguishes two Ca2+- and voltage-dependent ...
Crystallographic Structure of Phosphofructokinase-2 from Escherichia coli in Complex with Two ATP Molecules. Implications for Substrate Inhibition
(ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD, 2008-08-22)
Phosphofructokinase-1 and -2 (Pfk-1 and Pfk-2, respectively) from
Escherichia coli belong to different homologous superfamilies. However, in
spite of the lack of a common ancestor, they share the ability to catalyze ...
Generation of superoxide radicals by copper-glutathione complexes: Redox-consequences associated with their interaction with reduced glutathione
(PERGAMON-ELSEVIER SCIENCE LTD, 2009-03-01)
The interaction between Cu2+ ions and GSH molecules leads to the swift formation of the physiologically occurring Cu(I)-[GSH](2) complex. Recently, we reported that this complex is able to reduce molecular oxygen into ...
A theoretical study of solvent effects on the relative thermodynamic stabilities of the allyl+/F- and allyl-/Li+ ion pairs in polar media
(1990)
The relative thermodynamic stabilities of several ion-pair structures, including intimate and solvent-separated forms, in solution have been studied for the allyl+/F- and allyl-/Li+ model systems. The electrostatic part ...
Chemical reactivity descriptors for ambiphilic reagents: Dual descriptor, local hypersoftness, and electrostatic potential
(2009)
The second-order response of the electron density with respect to changes in electron number, known as the dual descriptor, has been established as a key reactivity indicator for reactions like pericyclic reactions, where ...
The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
(AMER CHEMICAL SOC, 2011-02-25)
In the course of a reaction it is the shape of the Fukui potential that guides a
distant reagent toward the site where an electrophile/nucleophile is willing to accept/
donate charge. In this paper we explore the ...
On the SCF theory of continuum solvent effects representation: Introduction of local dielectric effects
(Wiley, 1985)
The introduction of local dielectric effects within the SCF theory of continuum solvent effects representation is examined at a semiempirical level. The formalism is developed in the frame of the reaction field theory ...
p-Methoxyphenol: A potent and effective scavenger for solid-phase peptide synthesis
(2020)
During the final step of t-Boc/Bzl, solid-phase peptide synthesis (SPPS)-protecting groups from amino acids (aa) side chains must be removed from the target peptides during cleavage from the solid support. These reaction ...