Browsing by Author "Gómez Jeria, Juan"
Now showing items 1-20 of 29
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(2003)The aim of this work is to find a method suitable at least for obtaining the isolated molecule band structure approximated by a Gaussian broadening of the discrete eigenvalues, to apply it for a first scan of bigger and ...
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(Sociedad Chilena de Quimica, 2010)We present here the results of a Density Functional Theory study of the relationships between electronic structure and peripheral benzodiazepine receptor affinity for a group of N,N-dialkyl-2-phenylindol-3-ylglyoxylamide ...
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(Scholars Research Library, 2016)We employed a formal QSAR method to find the main interactions regulating the variation of the ability to inhibit the germination of Lactuca sativa seeds by a small group of phenolic acids. The same techique was employed ...
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(1987)The electronic structure of 1-(2,5-dimethoxy-4-nitrophenyl)-2-aminopropane (DON) was calculated at the CNDO/2 level, and the racemic compound was synthesized and found to be hallucinogenic at doses of 4 mg. DON differs ...
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(Scholars Research Library, 2016)An analysis of the relationships between electronic structure and the inhibition of the kinase activity of VEGFR-2 was carried out for a series of 1-(4-((2-oxoindolin-3-ylidene)amino)phenyl)-3-arylureas. A similar study ...
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(Research Journal of Pharmaceutical, Biological and Chemical Sciences, 2016)Allelopathic effects of a chemical compound strongly depends on the target species, dose or concentration employed, structure of the molecule and physical properties, such as water solubility, lipophilicity and others. In ...
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(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 ...
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(Scholars Research Library, 2016)A Density Functional Theory study was carried out to find relationships between the electronic/molecular structure of a group of pyrazalone-quinazolone hybrids and their inhibition of human 4-hydroxyphenylpyruvate dioxygenase ...
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(Sociedad Chilena de Quimica, 2007)We present the results of a quantum chemical study of the relationship between the electronic-conformational structure of a group of thiazolidenebenzenesulfo namide derivatives (TBS) and their Immunodeficiency Type 1 Virus ...
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(Gendarmería de Chile, Unidad de Investigación Criminológica, 1992-08)Se analiza la conducta criminal violenta desde diversos niveles explicativos. Específicamente, critica las aproximaciones aisladas al problema, y postula como método adecuado uno que implemente una integración formalmente ...
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(ROYAL SOC CHEMISTRY, 1988-06)An electrochemical study of the (+/-)-1-(2,5-DIMETHOXY-4-NITROPHENYL)-2-AMINOPROPANE, which differs from similar compounds in that a hydrophilic nitro group replaces hydrophobic substituents on the 4-position of the benzene ...
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(1988)An electrochemical study of the hallucinogen (±)-1-(2,5-dimethoxy-4- nitrophenyl)-2-aminopropane, which differs from similar compounds in that a hydrophilic nitro group replaces Hydrophobic substituants on the 4-position ...
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(John Wiley and Sons Inc., 1997)The binding of apomorphines (AM) to D1 and D2 dopamine receptors is analyzed through a formal quantum structure-activity relationship method. The calculations were carried out at the CNDO/2 level of the molecular orbital ...
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(1990)We present a theoretical treatment for the Helmholtz free energy of an arbitrary discrete charge distribution in a central prolate or oblate spheroidal cavity surrounded by two and three concentric dielectric continua of ...
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(2011)The effect of the aluminum oxide on the thermal synthesis of the glycine-glutamic acid (Gly-Glu-(Gly-Glu)n polymer is described. The thermal synthesis in the molten state was carried out in the absence and presence of the ...
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(1991)New developments in the continuum representation of solvent effects are presented. General expressions for the Helmholtz free energy of an arbitrary discrete charge distribution placed in spherical and spheroidal (oblate ...
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(Sociedad Chilena de Quimica, 2013)This paper uses newly developed and extended quantum chemical methods in an attempt to advance the knowledge of the relationship between the variation of several local atomic descriptors of the electronic structure and the ...
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(John Wiley & Sons, lnc., 1990-01-30)A model for catecholamine storage in vesicles is analyzed within the ,CRI CNDO/2 approach inc1uding conlinuum solvenl crfcels. The model considers lhe approach of calionic norepinephrine (NE) 10 a positively charged ...
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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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(Pergamon-Elsevier, 2016)Accurate characterization of two phase bubbly flows is crucial in many industrial processes such as fluidized reactors, ore froth flotation, etc. The bubble size determines the rate at which components present in the gas ...
