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61.
Th. Ramdahl J. Arey B. Zielinska R. Atkinson A. M. Winer 《Journal of separation science》1986,9(9):515-517
This paper reports the retention indices of eighteen of the possible twenty-five dinitrofluoranthene isomers. 相似文献
62.
Th.?Monovasilis Z.?Kalogiratou T.E.?SimosEmail author 《Journal of mathematical chemistry》2005,37(3):263-270
The computation of the energy eigenvalues of the one-dimensional time-independent Schrödinger equation is considered. Exponentially fitted and trigonometrically fitted symplectic integrators are obtained, by modification of the first and second order Yoshida symplectic methods. Numerical results are obtained for the one-dimensional harmonic oscillator and Morse potential.AMS subject classification: 65L15Funding by research project 71239 of Prefecture of Western Macedonia and the E.U. is gratefully acknowledged. 相似文献
63.
Ch. Gerz Th. Hilberath G. Werth 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1987,5(2):97-99
Sr+ ions were confined in a r.f. quadrupole trap for times of the order of 30 min. The metastable 4D states were populated via laser excitation of the 5P states. The weak quadrupole transition rate into the 5S 1/2 ground state at 674 and 687 nm was deduced from observation of the exponential decay. At background pressures above 10?7 mbar the radiative decay is dominated by collisional quenching. Extrapolation of the observed decay rate to zero background pressure yields the radiative lifetimes. At pressures around 10?6 mbar fine structure mixing collisions between the 4D states have been observed, which lead to corrections of the extrapolated lifetimes. As the final result we obtain 395±38 ms for 4D 3/2 and 345±33 ms for 4D 5/2. These results are somewhat higher than theoretical predictions. 相似文献
64.
A bound is given for the average length of a lexicographic path, a definition that is motivated by degeneracies encountered when using the randomized simplex method. 相似文献
65.
V. Barci H. El-Samman A. Gizon J. Gizon R. Kossakowski B. M. Nyako T. Vertse S. Elfström D. Jerrestam W. Klamra Th. Lindblad T. Bengtsson 《Zeitschrift für Physik A Hadrons and Nuclei》1986,325(4):399-404
The effective moment of inertiaI eff (2) of132Ce,134Nd and136Nd produced in40Ar induced reactions has been deduced from continuumγ-ray spectra measured by sum spectrometer methods. Results concerning the deformation of these nuclei are obtained by comparison of the experimental data and calculations in the frame of a cranking Nilsson — Strutinsky model. 相似文献
66.
Lin CS Zhang RQ Lee ST Elstner M Frauenheim T Wan LJ 《The journal of physical chemistry. B》2005,109(29):14183-14188
The assembly of small water clusters (H2O)n, n = 1-6, on a graphite surface is studied using a density functional tight-binding method complemented with an empirical van der Waals force correction, with confirmation using second-order M?ller-Plesset perturbation theory. It is shown that the optimized geometry of the water hexamer may change its original structure to an isoenergy one when interacting with a graphite surface in some specific orientation, while the smaller water cluster will maintain its cyclic or linear configurations (for the water dimer). The binding energy of water clusters interacting with graphite is dependent on the number of water molecules that form hydrogen bonds, but is independent of the water cluster size. These physically adsorbed water clusters show little change in their IR peak position and leave an almost perfect graphite surface. 相似文献
67.
Jan F. Keij Jan Th . M. Jansen Frank W. Schultz Jan W. M. Visser 《Photochemistry and photobiology》1994,60(5):503-509
Abstract-During the development of a photodamage cell sorter several photosensitizers were tested for their ability to photoinactivate more than 90% of the sensitized cells after a brief irradiation with a fluence of 10 kJ/m2 . In pilot experiments, yeast cells sensitized with 10-dodecyl acridine orange (DAO) were effectively photoinactivated after receiving a fluence of 10 kJ/m2 delivered in 8 s. However, when the same fluence was delivered in 3 μ s during passage through a focused laser beam in the cell sorter, all cells survived.
Computer simulations of the relevant photophysical and chemical reactions inside the irradiated cell were used to investigate the cause of this phenomenon. The results indicated that the absence of photoinactivation by DAO, after flash irradiations, was caused by the combined effects of (1) limited oxygen diffusion into the cell and (2) a reduced number of collisions between photosensitizer triplet and oxygen molecules during the irradiation due to saturation of the intracellular photosensitizer triplet concentration. The contributions of triplet-triplet annihilation and triplet quenching by ground state photosensitizer molecules were found to be minimal and not significant. These findings indicate that Type II photosensitizers are incapable of rapid selective photoinactivation in cell sorters. 相似文献
Computer simulations of the relevant photophysical and chemical reactions inside the irradiated cell were used to investigate the cause of this phenomenon. The results indicated that the absence of photoinactivation by DAO, after flash irradiations, was caused by the combined effects of (1) limited oxygen diffusion into the cell and (2) a reduced number of collisions between photosensitizer triplet and oxygen molecules during the irradiation due to saturation of the intracellular photosensitizer triplet concentration. The contributions of triplet-triplet annihilation and triplet quenching by ground state photosensitizer molecules were found to be minimal and not significant. These findings indicate that Type II photosensitizers are incapable of rapid selective photoinactivation in cell sorters. 相似文献
68.
Zusammenfassung 4-Hydroxy-carbostyrile (1a–c) werden mit Benzylchlorid inDMF bevorzugt zu den 4-Benzyloxy-carbostyrilen (2a–c) alkyliert. In wäßr. NaOH dagegen erhält man aus1a und1c als Hauptprodukt das 3,3-Dibenzyl-2,4-dioxo-1,2,3,4-tetrahydrochinolin (3).
Alkylation of 4-hydroxy-quinol-2-ones (1a–c) with benzyl chloride inDMF in the presence of K2CO3 mainly gives the 4-benzylethers2a–c. However, carbon dialkylation takes place in aqueous NaOH and the main product of the reaction between benzylchloride and1a is 3.3-dibenzyl-2.4-dioxo-1.2.3.4-tetrahydro-quinoline3.相似文献
69.
The molecular energy of the complex (η5-C5H5)2TiCl2 has been calculated for experimental geometry and for several hypothetical forms by a semi-empirical CNDO/2 approach. The energy difference between experimental (quasi-tetrahedral) geometry and a planar geometry is ca. 20 kcal mol?1. This difference is sufficiently high to explain the difficulty of the inversion process. 相似文献
70.
The reaction of the azomethine ylides 2a–c with cyclopropenones 3 and of 2a with methylene cyclopropenes 7 leads via (3+3)-cycloaddition to pyridones-4 5 and 1,4 - dihydro - N - methyl - 4 - methylene - pyridines 8, respectively. The merocyanine systems 8 exhibit marked solvatochromic and thermochromic properties. 相似文献