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1.
A. R.?Milosavljevic A.?Giuliani D.?Sevic M.-J.?Hubin-Franskin B. P.?MarinkovicEmail author 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2005,35(2):411-416
Absolute differential cross-sections (DCSs) for elastic
scattering of electrons from the DNA backbone sugarlike analogue
tetrahydrofuran (THF) molecule were determined using a crossed
beam measurements for incident energies from 20 eV to 300 eV and
scattering angles from 10o to 110o. Using the
relative-flow technique, elastic DCSs for THF relative to nitrogen
have been obtained at incident energies of 20, 30, 40, 50 and 60 eV. In the energy region above 30 eV, the DCSs were measured
independently as a function of both incident electron energy and
scattering angle. Therefore, this set of relative DCSs has been
calibrated to the absolute scale via normalization to a single
point in the overlapping region. Additionally, both vibrational
and electronic energy loss spectra for THF are presented and
influence of energy resolution to the obtained DCSs is discussed. 相似文献
2.
Ivan Gutman Natas?a Cmiljanovic Svetlana Milosavljevic Slavko Radenkovic 《Monatshefte für Chemie / Chemical Monthly》2004,42(3):765-772
In recent work [Gutman et al. (2004) Chem Phys Lett 383: 171] a method was developed by means of which the influence of non-bonding molecular orbitals (NBMOs) on the value of total -electron energy (E) can be separated from the multitude of other molecular-structure-dependent effects. We now extend this method and establish the relation between E and the number n
0 of NBMOs. It is shown that E (when computed within the HMO approximation, and expressed in the units of the HMO resonance integral ) is a decreasing function of n
0, and that the dependence of E on n
0 is almost perfectly linear. 相似文献
3.
Electrochemical Characterization of the Interaction of Multiwalled Carbon Nanotubes with Doxorubicin
Amitava Moulick Vedran Milosavljevic Hoai Viet Nguyen Pavel Kopel 《Analytical letters》2017,50(14):2335-2341
It has been suggested that multiwalled carbon nanotubes (MWCNTs) interacting with pharmaceutics may be introduced into the body as nanocarriers. To deliver the anticancer drugs, covalent or noncovalent functionalization of MWCNTs is required. In this study, the influence of oxidation on MWCNTs in the interaction with chemotherapeutic drug, doxorubicin, was characterized. The binding of doxorubicin with MWCNTs decreased rapidly with the increasing oxidation period with sulfuric acid. However, with nitric acid, the interaction increased initially and slowly decreased with time. The best results were obtained for sulfuric and nitric acid following 1 and 3?h of oxidation, respectively. The results show that sulfuric acid provided more favorable interaction for MWCNTs with doxorubicin than nitric acid. 相似文献
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A one-sided Jacobi hyperbolic singular value decomposition (HSVD) algorithm, using a massively parallel graphics processing
unit (GPU), is developed. The algorithm also serves as the final stage of solving a symmetric indefinite eigenvalue problem.
Numerical testing demonstrates the gains in speed and accuracy over sequential and MPI-parallelized variants of similar Jacobi-type
HSVD algorithms. Finally, possibilities of hybrid CPU–GPU parallelism are discussed. 相似文献
7.
We propose a combination of two known computational methods for the construction of designs with prescribed groups of automorphisms: the Kramer–Mesner method and the method of tactical decompositions. This combined method is used to construct new unitals with parameters 2‐(65, 5, 1). © 2011 Wiley Periodicals, Inc. J Combin Designs 19:290‐303, 2011 相似文献
8.
Central European Journal of Operations Research - We propose a new method for solving the production cost minimization problem with Cobb–Douglas technology. The method is based on weighted... 相似文献
9.
A.?Giuliani P.?Lim?o-Vieira D.?Duflot A. R.?Milosavljevic B. P.?Marinkovic S. V.?Hoffmann N.?Mason J.?Delwiche M.-J.?Hubin-Franskin 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2009,51(1):97-108
The electronic spectroscopy of isolated tetrahydrofuran (THF) in the gas phase has been investigated using high-resolution
photoabsorption spectroscopy in the 5.8–10.6 eV with absolute cross-section measurements derived. In addition, an electron
energy loss spectrum was recorded at 100 eV and 10° over the 5–11.4 eV range. The He(I) photoelectron spectrum was also collected
to quantify ionisation energies in the 9–16.1 eV spectral region. These experiments are supported by the first high-level
ab initio calculations performed on the excited states of the neutral molecule and on the ground state of the positive ion.
The excellent agreement between the theoretical results and the measurements allows us to solve several discrepancies concerning
the electronic state spectroscopy of THF. The present work reconsiders the question of the lowest energy conformers of the
molecule and its population distribution at room temperature.
Electronic supplementary material Supplementary Online Material 相似文献
10.
The higher-dimensional kinematical dislocation continuum theory of Hochrainer (2006) and a homogenized version thereof by Hochrainer, Zaiser and Gumbsch (2010) are reviewed. A three-dimensional Finite Element solution of the homogenized theory is presented, interpreted physically and compared to the results of the Geometrically Necessary Dislocations theory. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献