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Using the Q representation, we study the disagreement between quantum optical formalism and local realism and we show that the phenomenon of enhancement, first revealed by the local realist analysis, could receive a simple explanation if we use this particular version of the quantum formalism. Nevertheless, some fundamental difficulties remain. 相似文献
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C. A. Rinaldi J. C. Ferrero S. I. Lane E. V. Oexler 《Journal of Chemical Sciences》1991,103(3):465-469
The IR multiphoton dissociation of CF3I has been studied in the presence of isobutane and with isobutane and Ar and CO2 as inert gases. The dependence of the reaction probability P(Φ) with fluence (ϕ) is confirmed. Modeling of the experimental results shows that for the energy transfer processes the average energy transferred
per collision 〈†E〉d varies with (ϕ). 相似文献
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A stochastic method of optimization, which combines simulated annealing with simplex, is implemented to fit the parameters of a simple model potential. The main characteristic of the method is that it explores the whole space of the parameters of the model potential, and therefore it is very efficient in locating the global minimum of the cost function, in addition to being independent of the initial guess of the parameters. The method is employed to fit the complex intermolecular potential energy surface of the dimer of water, using as a reference the spectroscopic quality anisotropic site-site potential of Feller et al. The simple model potential chosen for its reparameterization is the MCY model potential of Clementi et al. The quality of the fit is assessed by comparing the geometry of the minimum, the harmonic frequencies, and the second virial coefficients of the parameterized potential with the reference one. Finally, to prove more rigorously the robustness of this method, it is compared with standard nonstochastic methods of optimization. 相似文献
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E. Ferrero J. F. Espeso J. G. de la Campa J. de Abajo A. E. Lozano 《Journal of polymer science. Part A, Polymer chemistry》2002,40(21):3711-3724
A series of polyisophthalamides containing pendent phthalimido groups and flexible side spacers were prepared from four novel diacids and three commercial aromatic diamines. These polyamides were prepared in high yields and with high molecular weights by direct polycondensation with triphenyl phosphite and pyridine as condensing agents. The weight‐average and number‐average molecular weights, measured by gel permeation chromatography, were 70,000–137,000 and 47,000–86,000 g/mol, respectively. The novel polyamides were amorphous and readily soluble and showed glass‐transition temperatures of 150–240 °C, as measured by differential scanning calorimetry. Thermogravimetric analysis showed that the 10% weight‐loss temperatures in nitrogen were 355–430 °C, a significant improvement in thermal stability having been observed with the increase in the side‐chain length. A theoretical quantum mechanical study was successfully carried out to explain these results. Flexible and tough films, cast from polymer solutions, showed tensile strengths of 50–125 MPa. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 3711–3724, 2002 相似文献
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Pochodzalla J Möhlenkamp T Rubehn T Schüttauf A Wörner A Zude E Begemann-Blaich M Blaich T Emling H Ferrero A Gross C Immé G Iori I Kunde GJ Kunze WD Lindenstruth V Lynen U Moroni A Müller WF Ocker B Raciti G Sann H Schwarz C Seidel W Serfling V Stroth J Trautmann W Trzcinski A Tucholski A Verde G Zwieglinski B 《Physical review letters》1995,75(6):1040-1043
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Th. Rubehn W. F. J. Müller R. Bassini M. Begemann-Blaich Th. Blaich A. Ferrero C. Groß G. Imme I. Iori G. J. Kunde W. D. Kunze V. Lindenstruth U. Lynen T. Möhlenkamp L. G. Moretto B. Ocker J. Pochodzalla G. Raciti S. Reito H. Sann A. Schüttauf W. Seidel V. Serfling W. Trautmann A. Trzcinski G. Verde A. Wörner E. Zude B. Zwieglinski 《Zeitschrift für Physik A Hadrons and Nuclei》1995,353(2):197-204
Electromagnetic fission of238U projectiles at E/A =600 and 1000 MeV was studied with the ALADIN spectrometer at the heavy-ion synchrotron SIS. Seven different targets (Be, C, Al, Cu, In, Au and U) were used. By considering only those fission events where the two charges added up to 92, most of the nuclear interactions were excluded. The nuclear contributions to the measured fission cross sections were determined by extrapolating from beryllium to the heavier targets with the concept of factorization. The obtained cross sections for electromagnetic fission are well reproduced by extended Weizsäcker-Williams calculations which include E1 and E2 excitations. The asymmetry of the fission fragments' charge distribution gives evidence for the excitation of the double giant-dipole resonance in uranium.Communicated by V. Metag 相似文献
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Gotor-Fernández V Ferrero M Fernández S Gotor V 《The Journal of organic chemistry》2002,67(4):1266-1270
An efficient synthesis of monoacylated 1alpha,25-dihydroxyvitamin D3 A-ring precursors 15, 16, 18, and 19 has been described through an enzymatic hydrolysis process. Candida antarctica A lipase (CAL-A) hydrolyzes the C-5 acetate ester in trans stereoisomers 9 and 13, with complete and high selectivity, respectively. In the case of cis isomers 11 and 14, Chromobacterium viscosum lipase (CVL) is the enzyme of choice, exhibiting opposite selectivity for these two enantiomers. This lipase selectively catalyzes the hydrolysis at the C-3 acetate in diester 11 and at C-5 position in diester 14. It is noteworthy that through a hydrolysis reaction CAL-A and CVL allow the synthesis of the four A-ring monoacetylated precursors of 1alpha,25-dihydroxyvitamin D3, precursors which are complementary to those obtained by the enzymatic acylation process. In addition, with excellent yield CVL selectively hydrolyzes the C-3 chloroacetate ester instead of the C-5 acetate in diester 22, a key intermediate in the synthesis of new A-ring modified 1alpha,25-dihydroxyvitamin D3 analogues. 相似文献