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11.
12.
Marco Caliari Marco Vianello Luca Bergamaschi 《Journal of Computational and Applied Mathematics》2007,210(1-2):56-63
We implement a second-order exponential integrator for semidiscretized advection–diffusion–reaction equations, obtained by coupling exponential-like Euler and Midpoint integrators, and computing the relevant matrix exponentials by polynomial interpolation at Leja points. Numerical tests on 2D models discretized in space by finite differences or finite elements, show that the Leja–Euler–Midpoint (LEM) exponential integrator can be up to 5 times faster than a classical second-order implicit solver. 相似文献
13.
14.
N. Zagaglia Salvi 《Journal of Graph Theory》1993,17(5):589-591
Let λ(G) be the line-distinguishing chromatic number and x′(G) the chromatic index of a graph G. We prove the relation λ(G) ≥ x′(G), conjectured by Harary and Plantholt. © 1993 John Wiley & Sons, Inc. 相似文献
15.
Beverina L Abbotto A Landenna M Cerminara M Tubino R Meinardi F Bradamante S Pagani GA 《Organic letters》2005,7(19):4257-4260
[graph: see text] Condensation of squaric acid with a number of differently substituted 2-pyrrolyl derivatives afforded three new classes of squaraines. Their sharp and intense absorption bands in the biological window (700-900 nm), inherent singlet oxygen generation capabilities, together with proper functionalization allowing good water solubility make them suitable candidates as new non-porphyrinic singlet oxygen photosensitizers for photodynamic therapy (PDT). 相似文献
16.
V. Nastro D. Vuono M. Guzzo G. Niceforo I. Bruno P. De
Luca 《Journal of Thermal Analysis and Calorimetry》2006,84(1):181-184
The aim of this paper is to characterize some raw
materials used for ceramics material production. Five samples of clay have
been analyzed. It has been carried out a patterned sampling in a quarry in
Rosarno (South Italy).
Chemical-physical
properties on clay samples are determined. Test pieces have been prepared
and physical properties after firing are determined by DSC thermal analysis,
XRD analysis and X-ray fluorescence. It is important to note the high amount
of Fe2O3. The mixture principally
contains quartz, illite and oligoclase. It has been observed the colour and
the shape after firing: predominant colour is red. In this case the clay has
been used in mixtures covered with glazes. The colour of internal clay is
hidden by opaque of glazes. The analysed raw materials can be used in a slip
for single fired red tiles. The A2sp clay produces best ceramics at 1000°C. 相似文献
17.
18.
Marco Berettoni Giovanna De Chiara Tommaso Iacoangeli Paola Lo Surdo Rinaldo Marini Bettolo Lorenzo Montagnini Di Mirabello Luca Nicolini Rita Scarpelli 《Helvetica chimica acta》1996,79(7):2035-2041
A novel preparation of methyl (13S)-13-hydroxyisoatisiren-18-oate ( 4 ), a key-intermediate in a synthesis of (+)-methyl trachyloban-18-oate ((+)- 1 ), from (?)-abietic acid, is described. Since (?)- 1 has been previously converted into (?)-methyl 16-oxo-17-norkauran-18-oate ((?)- 16 ), our preparation of 4 constitutes also a formal total synthesis, from (?)-abietic acid, of (+)- 16 . Key steps in this approach were the allene photoaddition to podocarp-8(14)-en-13-one ( 5 ) and the conversion of the endo-toluene-4-sulfonate 11 into the exo-benzoate 12b . 相似文献
19.
Celebre G De Luca G Longeri M Pileio G Emsley JW 《The Journal of chemical physics》2004,120(15):7075-7084
The proton NMR spectra of two (13)C-labeled isotopomers of styrene dissolved in two liquid crystalline solvents have been obtained and analyzed to yield four sets each of 24 dipolar couplings. These couplings were then used to investigate the structure of the ring and the ene fragments of the molecule, and the position of the maximum, phi(0), in the ring-ene bond rotational probability distribution. To do this, the effect on the dipolar couplings of small-amplitude vibrational motion was taken into account using vibrational wave functions calculated by molecular orbital and density functional methods. It is concluded that the NMR data are consistent with the ring fragment, averaged over the ring-ene rotation, planar, while the ene fragment is not. The value of phi(0) is found to be 18.0 degrees +/-0.2 degrees for the two solutions, compared with a value of 27 degrees calculated by the molecular method MP2/6-31G(*). 相似文献
20.
Pozzoli L Bolzacchini E Van Dingenen R Hjiorth J Dentener F Perrone G Rindone B Librando V 《Annali di chimica》2003,93(4):447-456
The model BAGS (Boxmodel for Aerosol and Gasphase Simulations) has been developed. It is composed of two major modules: the first one describes the system of the chemical reactions in the gaseous phase, the second one calculates the aerosol chemical composition and the dimensional distribution of the particles. The boxmodel has been developed with the introduction of new chemical and physical processes, not previously included, in particular the formation of Secondary Organic Aerosol. The other implemented processes are a module for the dynamic of the particle population, nucleation, coagulation and dry deposition. The last phase of the work has been a check of the BAGS capabilities by a series of tests, that have permitted to compare it with other models (MAPS and MADM). The tests in particular have concerned the aerosol water content prediction, the photochemistry, the condensation of the inorganic compounds and the formation of Secondary Organic Aerosol. 相似文献