Browsing by Subject "Physical and theoretical chemistry"
Now showing items 1-8 of 8
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(1993)The relations between the atomic softness and the atomic electric dipole polarizability are studied, both in a theoretical and an empirical way. For atoms and ions with one or two valence electrons a remarkably good ...
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(1975)A solvent and/or environmental effect has been introduced into the MO CNDO/2 calculation of a model hydrogen bonded system. Proton potential curves, potential energy, dipole moments, the polarizability component parallel ...
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(Elsevier Ltd, 1996)The title compound [Cu2C19H20N6O7Cl](2) is a copper(II) complex, in which each bicationic moiety is bridged by two pyrazolate ligands. In the centrosymmetric, tetrameric dications pairs of copper atoms, one square planar ...
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(2002)The effect of Boldo and black tea infusions on the pro-oxidant effects of vitamin B-2, riboflavin (R-F), when exposed to the action of visible light was studied. The amounts of antioxidants present in Boldo and tea infusions ...
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(1985)We have analyzed the dependence of the serotonin receptor binding affinity on the electronic and steric reactivity indexes for a group of 5‐substituted tryptamines. The approaches employed are a new nonempirical Quantitative ...
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(American Chemical Society, 1997)In recent papers we defined a theoretical frame aimed at characterizing the hardness and potential energy profiles along a reduced reaction coordinate (omega) varying from 0 to 1. In this paper we generalize that model to ...
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(2003)Time-resolved photolysis studies of riboflavin (RF) were carried out in the presence and absence of α-, βH- and βL-crystallins of bovine eye lens. The transient absorption spectra, recorded 5 μs after the laser pulse, ...
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(1968)The free radicals induced by gamma radiation in deaerated aqueous solutions of 2′‐3′ uridylic acid at 77°K have been studied by electron spin resonance techniques. The annealing at 193°K of the OH radical trapped at 77°K ...