Browsing by Title Artículos de revistas
Now showing items 52-71 of 4968
-
(Institute of Mathematics. Polish Academy of Sciences, 2019)
-
(1994)In this work, a way to approximate the correlation energy functional starting from a model correlation factor is shown. The problem is addressed by using formally exact properties of the second‐order density matrix and ...
-
(Elsevier B.V., 2017)We give a criterion in terms of period matrices for an arbitrary polarized abelian variety to be non-simple. Several examples are worked out.
-
A cyclic and polymeric phosphazene as solid state template for the formation of RuO2 nanoparticles (2007)Pyrolysis of the organometallic polymer: {{[N=P(R1)] 0.8[N=P(OC6H4CH2CN[Ru]) 2]0.15[N=P((OC6H5)(OC 6H4CH2CN[Ru]]0.05}{Cl} 0.31} n , [Ru]=CpRu(PPh3)2, R 1 = O2C12H8 (1) as well of the cyclic specie {N3P3 (OC6H5) ...
-
(Springer, 2020)Carotenoids are terpenoid pigments synthesized by all photosynthetic and some non-photosynthetic organisms. In plants, these lipophilic compounds are involved in photosynthesis, photoprotection, and phytohormone synthesis. ...
-
(2002)The Claisen rearrangement of allyl phenyl ether, allyl phenylamine, and allyl phenyl thioether, together with the family of H, CH3, OCH3, Cl, F, and CN, meta-substituted molecules, is studied within a density functional ...
-
(Elsevier, 1998)Semiempirical Amsterdam Density Functional (ADF) and ab-initio (B3LYP) density functional theory (DFT) calculations are used to analyze the isomerization reaction MCN ⇔ MNC, for M = H, Li and Na systems. A molecular ...
-
(2004)The linear-chain polymer {TI[Au(C6Cl5) 2]}n, 1, reacts in the solid state and in solution with different volatile organic compounds such as tetrahydrofuran, acetone, tetrahydrothiophene, 2-fluoropyridine, acetonitrile, ...
-
(2005)The regioselective [2+2] cycloaddition of a substituted benzyne possessing a fused four-membered ring to a ketene acetal has been theoretically studied. This cycloaddition presents a two-step mechanism that is initiated ...
-
(Bentham Science Publishers, 2010-11-02)Three different intramolecular Diels-Alder (IMDA) reactions associated with the formation of fused and bridged tricyclodecane skeletons have been studied at the B3LYP/6-31G(d) computational level. While substitution on ...
-
(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 ...
-
(SOC CHILENA QUIMICA, 2010-07-12)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 ...
-
(1988)A type II modification methylase (M BstVI) was partially purified from the thermophilic bacterium Bacillus stearothermophilus V. The methylase catalyses the transfer of methyl groups from S-adenosyl-L-methionine to unmodified ...
-
(Elsevier, 2018)Context: Accurately relating code authorship to commit frequency over multiple software revisions is a complex task. Most of the navigation tools found in common source code versioning clients are often too rigid to formulate ...
-
(Royal Society of Chemistry, 2018)Y1.86Eu0.14WO6 phosphors were prepared using a solidstate reaction method. Their optical properties were analysed, and they was mixed with TiO2, sintered, and used as a photoelectrode (PE) in dye-sensitized solar cells ...
-
(1988)The apparent permeation rate constants and amount of ranitidine transferred in 1 h were measured through everted rat intestine using a perfusion apparatus. The effects of pH and 5% or 10% ethanol on the apparent permeation ...
-
(2004)Incorporation of the organometallic fragments MLn = CpFe(dppe)I and CpRu(PPh3)2Cl to the random copolymers [{NP(O 2C12H8)}0.8{NP(OC6H 4CH2CN)2}0.15{NP(OC 6H4CH2CN)(OC6H5)} 0.05]n (1) [{NP(O2C12H 8)}0.55{NP(OC6H4CH ...
-
(2003)It has been shown that innocent ligands always contribute with a similar electron density to a metal centre in a complex regardless of which other innocent ligands are bonded to the same centre, while non-innocent ligands ...
-
(Soc Neuroscience, 2016)Physiological levels of ROS support neurite outgrowth and axonal specification, but the mechanisms by which ROS are able to shape neurons remain unknown. Ca2+, a broad intracellular second messenger, promotes both Rac1 ...