Artículos de revistas: Recent submissions
Now showing items 1301-1320 of 4968
-
(Elsevier, 1997)Starting from a density functional theory (DFT) formalism describing the energy change from one ground state representing an isolated solute, to another one representing the same solute in the field of the solvent, it is ...
-
(2003)Fourier transform infrared spectroscopy (FTIR), reflection-absorption infrared spectroscopy (RAIRS) and surface-enhanced Raman spectroscopy (SERS) were applied to study the adsorption of the macrocycle sub-2,3-boronnapht ...
-
(2002)Research in pristine forests provides a necessary reference of energy and nutrient cycling in absence of anthropogenic influence. Therefore two unpolluted watersheds in the Cordillera de Piuchué of southern Chile (42°30′ ...
-
Synthesis, characterization and crystal structure of [Ru(tppz)(4,4′-(CH3)2bpy)Cl](PF6), (tppz = ... (Elsevier Ltd, 1996)The synthesis and characterization of the complex [Ru(tppz)(4,4′-(CH3)2bpy) Cl]+ , where tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine, is reported. The ion was obtained in a one pot synthesis by reduction of Ru(4,4′-(CH3)2bpy)Cl4 ...
-
(Sociedad Mexicana de Fisica, 2001)The luminiscence spectrum of the Cs2SnBr6:OsBr2-6 system is examined utilizing a generalized vibronic formalisms. For illustrative purposes we have chosen the most characteristic excitations, which show up a rich and ...
-
(1986)A full normal coordinate analysis for the Cr(CN)3− 6 ion, in octahedral symmetry, has been carried out on the basis of new experimental data, using three different force fields. Consistent sets of force constants have been ...
-
(1992)The UV-Visible absorption Spectra for the complexes cis and trans BrMn(CO)2dppm{P(OPh)3} dppm = Ph2PCH2PPh2 in several solvents are reported and an assignment of their bands is proposed. The cis isomer present one ...
-
(2002)By means of 13C-NMR spectroscopy and ab initio molecular orbital theory calculations we have analyzed the bridge effect of the C=N bond and the long distance electronic effect of the electron-donor substituents (D: -NO2, ...
-
(Marcel Dekker Inc., 1998)A systematic study of the rotational activation free energy around the Caromatic-Cethylenic bond of para-substituted styrene systems is carried out in the present work from a quantum chemistry point of view. Calculations ...
-
(1992)Intra‐ and interpopulation morphological variation in 14 meristic characters was assessed in twelve previously karyotyped population samples of Liolaemus monticola monticola, representing two chromosomal races: the Southern ...
-
(Verlag der Zeitschrift fur Naturforschung, 1999)Three triterpenoid quinonemethides, one triterpene (β-amyrin) and three phenolic compounds were isolated from the roots of Maytenus chubutensis (Speg.) Lourt., O'Don. et Sleum. and Maytenus disticha (Hook. f.) (Celastraceae). ...
-
(2002)Hydroxamic acids (Hx) contained in wheat are active mutagens which play an important role in the defence of the plant against aphids. Random amplified polymorphic DNA-polymerase chain reaction (RAPD-PCR) dominant markers ...
-
(Sociedad Chilena de Quimica, 1999)The crystal structure of (N,N-dibenzyl)bencenesulfenamide, (C6H5)SN(CH2C6H5) 2 is described and compared with other sulfenamides and with its chromium pentacarbonyl complex. This structure belongs to a type of divalent ...
-
(American Chemical Society, 2000)A semilocal (regional) model to describe the effects of chemical substitution on gas-phase acid-base reactivity is developed and tested. A simple relationship connecting regional changes in electron density and global ...
-
(2000)The relative gas-phase acidity of halosubstituted acetic acids CH2XCO2H, CHX2CO2H and CX3CO2H (X = F, CI, and Br) is analyzed in terms of global and local descriptors of reactivity. The model is based on the analysis of ...
-
(2003)The new quaternary selenophosphate phases AMP2Se6 (A = Cu, Ag and M = Bi, Sb) were synthesized by ceramic methods at 1023 K. These phases were characterized by powder X-ray diffraction (XRD), Fourier transform infrared ...
-
(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 ...
-
(1995)Based upon ab initio Hartree-Fock calculations we propose a model potential for simplifying the study of the internal rotation of neighbouring rings. The quality of the proposed analytic potential was numerically verified ...
-
(John Wiley and Sons Ltd, 1996)Internal rotational barriers of aromatic carbonl compounds were calculated by means of semi-empirical quantum chemical methods such as AM1 and PM3. Rotational potential barriers in the AM1 approach (VAM1) follow the ...
-
(2003)A reactivity picture developed within the spin-polarized density functional theory defined in the E{N, NS, v(r)} space is discussed. The reactivity model including changes in the total number of electrons N, the spin number ...