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Quantum‐chemical study of the relation between electronic structure and pA2 in a series of 5‐substituted tryptamines
(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 ...
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
(ELSEVIER SCIENCE PUBLISHERS B.V., 2009)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
(ELSEVIER SCIENCE PUBLISHERS B.V., 2009)
ELECTRONEGATIVITY MODELS FOR THE INFRARED VIBRATIONAL INTENSITIES OF THE HALOMETHANES
(Amer Chemical SocWashington, 1995)
Reactivity and Selectivity of Boron-Substituted Alkenes in the Diels-Alder Reaction with Cyclopentadiene. A Study of the Electron Charge Density and Its Laplacian
(American Chemical Society, 2014-07)
The effect of the nature of the boron moiety upon the reactivity and the selectivity of a variety of vinylboron dienophiles (1−12) in the Diels−Alder (DA) reaction was investigated using density functional theory and the ...
CCl4: mean dipole moment derivatives and core electron binding energies
(Pergamon-elsevier Science LtdOxfordInglaterra, 1999)
Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
(Amer, 2013-11)
Although group IV semiconductor alloys are expected to form substitutionally, in Ge1xSnx this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to ...