Browsing by Title Artículos de revistas
Now showing items 2590-2609 of 2801
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(Elsevier Ltd, 2014)The synthesis, magnetic and structural characterization of two tetrameric copper(II) complexes {N(C4H9)4}-[Cu 2(LH)2(μ4-Br)Cu2(LH) 2](PF6)4 (1) and [Cu2(LH) 2(μ4-Cl)Cu2(LH)2](Cl) 2(PF6) (2) is described. LH stands for the ...
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(American Geophysical Union, 2020)Information about end-of-winter spatial distribution of snow depth is important for seasonal forecasts of spring/summer streamflow in high-mountain regions. Nevertheless, such information typically relies upon extrapolation ...
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(Pergamon Press Ltd., 1981)
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(Elsevier, 2021)Cocoa beans contain antioxidant molecules with the potential to inhibit type 2 coronavirus (SARS-CoV-2), which causes a severe acute respiratory syndrome (COVID-19). In particular, protease. Therefore, using in silico ...
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(Springer, 2013)A theoretical study of the magnetic properties, using density functional theory, of a family of trinuclear μ3-OH copper(II) complexes reported in the literature is presented. The reported X-ray crystal structures ...
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(Hindawi Limited, 2017)© 2017 Maximiliano Martínez-Cifuentes et al. The mandatory presence of a chlorine atom on the aromatic ring of 6-hydroxy-3-formyl angular chromones, on the respiration inhibition of mammary carcinoma mouse, is explained ...
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(JOHN WILEY & SONS INC, 2007-01)We studied the attraction between [C2Hn] and Tl(I) in the hypothetical [C2Hn-Tl](+) complexes (n = 2,4) using ab initio methodology. We found that the changes around the equilibrium distance C-Tl and in the interaction ...
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(JOHN WILEY & SONS INC, 2009-03-05)The platinum-platinum attraction and the spectroscopic properties of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n = 3-5) were Studied at the PBE level. Theoretical calculations are in agreement with experimental geometries. The ...
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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 ...