Browsing by Title Artículos de revistas
Now showing items 2588-2607 of 2801
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(PERGAMON-ELSEVIER SCIENCE LTD, 1999)Reaction of (CO)(9)Co-3(mu(3)-CCOOH) with metal trifluoroacetates leads to the isolation of Cr-2{mu-OOC-CCo3(CO)(9)}(2){mu-OOCCF3}(2)(THF)(2), 1, and Sm-2{mu-OOCCCo3(CO)(9)}(2){mu-OOCCF3}(4){(CO)(9)Co3CCOOH}(2)(THF)(2). ...
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(Univ. Distrital Francisco Jose de Caldas, 2016)Green Chemistry, as a research area, understood as the development of methodologies to modify products or processes in order to reduce or eliminate the risks posed to the environment and human health. Thus it is allowing ...
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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 ...