Browsing by Title
Now showing items 32294-32313 of 92550
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(Elsevier, 1999)Electronic ion energy loss calculations on the basis of the binary encounter approximation are presented for protons in oxygen, nitrogen and silicon. Calculations using both an analytical approach as well as a Monte Carlo ...
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(Lippincott Williams and Wilkins, 2014)
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(1972)The model recently proposed by Ramírez and Falicov is generalized by the incorporation of the spin-orbit splitting of the 4f shell. This generalization provides an understanding of the fractional valence and magnetic ...
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(PERGAMON-ELSEVIER SCIENCE LTD, 2006-06-19)Mixed valence dinuclear iron(II,III) complexes of the type [Fe2L2(H2O)(4)](NO3)(H2O)(3), where L is the dianion of a Schiff base ligand derived from alpha-amino acids (glycine and L-isolecine) and 5-bromosalicylaldehyde, ...
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(2005)The electronic structure and geometry of clusters of the type Li nCum, LinCum+1 (n, m ≤ 4), Lin, and Cun (n ≤ 8) were theoretically investigated using density functional methods. The LinCum bimetallic system is important ...
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Electronic spectra of d-ph-d’ systems. 1.aminophenol cations as isoelectronic structures of cresols (1990)The electronic absorption spectra and luminescent properties in the first singlet π-π* excited states of aminophenol cations in aqueous solutions are studied from a theoretical and experimental point of view. Lifetime and ...
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Electronic structure and bonding of the ground state of alkaline-earth-metal monoxides and carbides (American Chemical Society, 2000)The electronic structure of the ground state of monoxides MO and carbides MC2 with M an alkaline-earthmetal atom (Be to Ba) has been investigated. Bond energies, vibrational frequencies, dipole moments and equilibrium bond ...
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(AMER CHEMICAL SOC, 2006-06-26)We report scalar relativistic and Dirac scattered wave (DSW) calculations on the heptacyanorhenate [Re(CN)(7)](3-) and Re(CN)(7)(4-) complexes. Both the ground and lowest excited states of each complex split by spin-orbit ...
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(American Chemical Society, 2006)We report scalar relativistic and Dirac scattered wave (DSW) calculations on the heptacyanorhenate [Re(CN)7]3- and Re(CN) 7 4- complexes. Both the ground and lowest excited states of each complex split by spin-orbit ...
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(ELSEVIER, 2006-04-28)We report scalar and four component relativistic density functional calculations on octacyanorhenate [Re(CN)(8)](2-) and [Re(CN)(8)](3-) complexes. The relativistic calculations predict that the molecular g-tensor of the ...
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(Elsevier, 2006)We report scalar and four component relativistic density functional calculations on octacyanorhenate [Re(CN)8]2- and [Re(CN)8]3- complexes. The relativistic calculations predict that the molecular g-tensor of the paramagnetic ...
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(Elsevier B.V., 2017)© 2016 Elsevier B.V. The current work scrutinizes the chemical behavior of a set of promissory dyes, the Zn-porphyrins with N-annulated Perylene, WW3m-WW8m, within the most important steps in the solar cell: photoexcitation, ...
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(QSARWorld, 1986)A QSAR study was carried out seeking a relationship between the receptor binding affinities and the molecularelectronic structures of a group of 7-substituted tryptamines. The results suggest that these molecules interact ...
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(QSAR World, 1986)A QSAR study was carried out seeking a relationship between the receptor binding affinities and the molecularelectronic structures of a group of 7-substituted tryptamines. Tbe results suggest that these molecules interact ...
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(Elsevier, 2014)A simple method to obtain a gap-corrected band structure of cadmium telluride within density functional theory is presented. On-site Coulomb self-interaction-like correction potential has been applied to the 5p-shell of ...
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(Wiley, 2020)Atoms under pressure undergo a number of modifications of their electronic structure. Good examples are the spontaneous ionization, stabilization of excited-state configurations, and contraction of atomic-shells. In this ...
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(Sociedad Chilena de Química, 2014)For the first time, the study of the effect of length and degree of oxidation of multi-walled carbon nanotubes (CNTs) on the electroanalytical DNA sensing properties of modified glassy carbon electrodes (GCEs) is reported. ...
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(WILEY-V C H VERLAG GMBH, 2007-04)We report on the analytical performance of glassy carbon (GCE) electrodes modified with a dispersion of multiwall carbon nanotubes (CNT) in chitosan (CHIT) for the quantification of DNA. The electroanalytical response of ...
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(2011)This work reports the electrochemical response of the complex between dsDNA and PEI formed in solution and at the surface of glassy carbon electrodes (GCE) modified with a dispersion of multi-walled carbon nanotubes in ...
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(ELSEVIER SCIENCE SA, 2003-01-16)The electrooxidation of primary alcohols with four to eight carbon atoms on black Pt electrodeposits on gold/quartz, and on commercial bright platinum/quartz electrodes in perchloric acid solution, was studied by cyclic ...
