Browsing by Title Artículos de revistas
Now showing items 2598-2617 of 2801
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(ELSEVIER, 2006-10-01)Density functional theory (DFT) calculations on the tetranuclear Ni(II) complex [Ni-4(C5H11O3)(4) (CH3CN)(4)](NO3)(4)center dot 1.33NaNO(3), have been made in order to explain the exchange magnetic phenomenon. Two ferromagnetic ...
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(JOHN WILEY & SONS INC, 2005-05-15)The electronic structure and the spectroscopic properties of [Au-2(CS3)(2)](-2), [Au-2(pym-2-S)(2)] (pym = pyrimidethiolate), [Au-2(dpm)(2)](+2) (dpm = bis(diphosphino)methane) were studied using density functional theory ...
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(2006)The exchange interactions in a Ni12 complex have been studied by using theoretical methods based on density functional theory. The calculated J values reproduce correctly the S = 12 ground state of this system found ...
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(JOHN WILEY & SONS INC, 2007-05)Ab initio calculations suggest that a series of complexes of type [Pt(PH3)(3)-MPH3](+) (M = Au, Ag, Cu) are stable. We found that changes around the equilibrium distance Pt-M and in the interaction energies are sensitive ...
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(ELSEVIER SCIENCE BV, 2007-02-18)We studied the attraction between [Pt(PH3)(3)] and the metals (Hg(0) and Au(-I)) in the hypothetical [Pt(PH3)(3)M] isoelectronic complexes using ab initio methodology. We found that the changes around the equilibrium ...
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(ELSEVIER SCIENCE BV, 2006-09-29)Theoretical studies of molecular conformations and electronic properties calculations of eight 5-nitrofuryl thiosemicarbazone free radicals, by means of ab initio (R/UHF), and DFT (R/UB3LYP) methods are presented and ...
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(ELSEVIER SCIENCE BV, 2007-10-25)The aurophilic attraction and the spectroscopic properties of [AU(3)(MeN=COMe)(3)](n) (n = 1-4) were studied at the MP2 and density functional theory (B3LYP and PBE) levels. Theoretical calculations at the MP2 level are ...
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(ELSEVIER SCIENCE BV, 2006-05-30)The electronic structure and the spectroscopic properties of [M(CN)(2)](n)(-n), (M = Au(I), Ag(I); n = 1-3) were studied using density functional theory (DFT) at the B3LYP level. The absorption spectrums in these complexes ...
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(Kluwer Academic Publishers, 1966)In previous papers (1955–1957) a theory of biological similarity was established, assuming that the limits are the mechanical and the electrodynamical similarity criteria. The range of this theory lies between the coefficient ...
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(Taylor & Francis, 2016)Introduction: Myocardial infarction (MI) is the leading cause of death. When MI is not lethal, heart failure (HF) is a major consequence with high prevalence and poor prognosis. The targeting of autophagy represents a ...
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(MDPI, 2021)Avocado oil is considered a highly prized food due to its nutritional contribution. On the other hand, Aristotelia chilensis (Molina) Stuntz (Elaeocarpaceae), common name “maqui”, is an endemic fruit in Chile, well known ...
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(TAYLOR & FRANCIS LTD, 2008-05)In thermolyses of molten triphenylphosphonium alkyl ester bromides and chlorides, alkyl=methyl, ethyl, isopropyl, at 130 and 225 degrees C, initial attack of the halide ion on the methyl group gives the methyl halide and ...
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(Elsevier Ltd, 2017)© 2016 Elsevier Ltd Effect of the addition of avocado (Persea americana cv. Hass) or olive (Olea europaea cv. Arbequina) hydroalcoholic leaf extracts (AHE and OHE, respectively) on thermal stability of canola oil (CO) and ...
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(MDPI, 2021)This work consists of studying the influence of two thermally reduced graphene oxides (TRGOs), containing oxygen levels of 15.8% and 8.9%, as fillers on the barrier properties of thermoplastic polyurethane (TPU) nanocomposites ...
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(Springer, 2013)The main purpose of this work was to study the chiral recognition thermodynamics of inclusion complexes formed by flavanones and b-cyclodextrins, and its relation with the inclusion geometries, through NMR experiments. By ...
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(American Society for Photobiology, 1997)The kinetics of fluorescence quenching of pyrene and three of its derivatives by a series of n-alkylpyridinium ions has been studied. The quenching process is diffusion controlled for all the systems studied, independent ...
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(Asoc Químicos, Inst Químico Sarria, 2016)La inclusión de dos derivados del naftoxazol en cucurbit[7] urilo se ha estudiado empleando métodos fluorescentes de estado estacionario. Estas moléculas presentan un comportamiento inusual de la emisión cuando se ...
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(2006)The present work studied the effect of different treatments at high temperatures on the nutritional properties of thiamine retention and color measurement experimentally. Canned salmon (Salmo salar) was processed under ...
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(Akademiai Kiado Rt., 2014)