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The paper presents results of perturbative calculations for nucleon Compton scattering. The results are given for the real incoming photon and for the virtual incoming photon. 相似文献
3.
A. L'Esprance J. Nicolas D.K. Wilson D.W. Thomson Y. Gabillet G. Daigle 《Applied Acoustics》1993,40(4)
This paper presents a set of acoustical and meteorological data from an outdoor sound propagation experiment. This experiment was done in a farm field near Rock Springs, Pennsylvania, on 7 July 1990. Meteorological and acoustical measurements were recorded simultaneously during six different times in the day. The meteorological measurements permitted determination of the sound speed profiles during each of the measurement sessions, using a method based on surface-layer similarity scaling. The acoustical measurements allowed precise determination of the relative sound pressure levels for a frequency range up to 3150 Hz at six different distances (66, 88, 125, 175, 250 and 350 m). The results show atmospheric conditions have an important effect on sound propagation. At medium and high frequencies, variations of the relative SPL have been measured at distances as short as 62 m. These effects increased with the distances so that variations as great as 30 dB have been measured during that day. Comparisons with the fast field program predictions are also presented, and amply demonstrate the accuracies of this model, especially for the downward refraction cases. 相似文献
4.
A. C. Orifici R. S. Thomson R. Degenhardt C. Bisagni J. Bayandor 《Mechanics of Composite Materials》2007,43(1):9-28
Analysing the collapse of skin-stiffened structures requires capturing the critical phenomenon of skin-stiffener separation,
which can be considered analogous to interlaminar cracking. This paper presents the development of a numerical approach for
simulating the propagation of interlaminar cracks in composite structures. A degradation methodology was introduced in MSC.Marc,
which involved the modelling of a structure with shell layers connected by user-defined multiple-point constraints (MPCs).
User subroutines were written that employ the virtual crack closure technique (VCCT) to determine the onset of crack growth
and modify the properties of the user-defined MPCs to simulate crack propagation. Methodologies for the release of failing
MPCs are presented and are discussed with reference to the VCCT assumption of self-similar crack growth. The numerical results
obtained by using the release methodologies are then compared with experimental data for a double-cantilever beam specimen.
Based on this comparison, recommendations for the future development of the degradation model are made, especially with reference
to developing an approach for the collapse analysis of fuselage-representative structures.
Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 43, No. 1, pp. 15–42, January–February, 2007. 相似文献
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The preferred conformations of the tripeptide glutathione have been investigated by performing quantum mechanical calculations using the PCILO method. A series of model compounds representing fragments of the tripeptide has been studied as well as the complete molecule. The results are compared with the available experimental data. 相似文献
7.
Zhang W Nowlan DT Thomson LM Lackowski WM Simanek EE 《Journal of the American Chemical Society》2001,123(37):8914-8922
An orthogonal, convergent route for the introduction of substoichiometric numbers of latent surface sites into dendrimers based on melamine is used to prepare targets that display one or two Boc-protected amines on the periphery. Asymmetry is the result of the stepwise incorporation of functionalized and unfunctionalized dendrons onto the triazine cores, a highly selective process due to the different reactivities of the substituted triazines. The routes to the dendrons rely on iterative reactions of the growing dendrons with triazine cores and diamine linkers. p-Aminobenzylamine is used as a linking group to avoid functional group interconversions or protecting group manipulations. Addition of the benzylamine group to the monochlorotriazine of the dendron proceeds cleanly leaving a less reactive aniline for subsequent reaction with trichlorotriazine. The routes to these targets proceed in 5 or 6 linear steps (11 or 12 total steps) in 40% overall yield. The unique surface sites can be deprotected and subjected to additional chemistries. Reaction of the monofunctionalized dendrimer with trichlorotriazine yields the desired dimer, a molecule whose increased size is evident from light scattering and tapping mode atomic force microscopy, and corroborated with computation. 相似文献
8.
We report a detailed density functional theory (B3LYP) analysis of the gas-phase H2O2 formation from H2 and O2 on Au3, Au4+, Au5, and Au5-. We find that H2, which interacts only weakly with the Au clusters, is dissociatively added across the Au-O bond, upon interaction with AunO2. One H atom is captured by the adsorbed O2 to form the hydroperoxy intermediate (OOH), while the other H atom is captured by the Au atom. Once formed, the hydroperoxy intermediate acts as a precursor for the closed-loop catalytic cycle. An important common feature of all the pathways is that the rate-determining step of the catalytic cycle is the second H2 addition to form H2O2. The H2O2 desorption is followed by O2 addition to AunH2 to form the hydroperoxy intermediate, thus leading to the closure of the cycle. On the basis of the Gibbs free energy of activation, out of these four clusters, Au4+ is most active for the formation of the H2O2. The 0 K electronic energy of activation and the DeltaGact at the standard conditions are 12.6 and 16.6 kcal/mol respectively. The natural bond orbital charge analysis suggests that the Au clusters remain positively charged (oxidic) in almost all the stages of the cycle. This is interesting in the context of the recent experimental evidence for the activity of cationic Au in CO oxidation and water-gas shift catalysts. We have also found preliminary evidence for a correlation between the activation barrier for the first H2 addition and the O2 binding energy on the Au cluster. It suggests that the minimum activation barrier for the first H2 addition is expected for the Au clusters with 7.0-9.0 kcal/mol O2 binding energy, i.e., in the midrange of the expected interaction energy. This represents a balance between more favorable H2 dissociation when the Aun-O2 interaction is weaker and high O2 coverage when the interaction is stronger. On the basis of this work, we predict that the hydroperoxy intermediate formation can be both thermodynamically and kinetically viable only in a narrow range of the O2 binding energy (10.0-12.0 kcal/mol)-a useful estimate for computationally screening Au-cluster-based catalysts. We also show that a competitive channel for the OOH desorption exists. Thus, in propylene epoxidation both OOH radicals and H2O2 can attack the active Ti in/on the Au/TS-1 and generate the Ti-OOH sites, which can convert propylene to propylene oxide. 相似文献
9.
R. Belcher J. R. Majer W. I. Stephen I. J. Thomson P. C. Uden 《Analytica chimica acta》1970,50(3):423-431
Preparative details for perfluoroalkanoylpivalylmethanes and their lead chelates are given. Thermal analysis, gas chromatography and mass spectral studies all indicate high thermal stability, but strong column interaction makes successful quantitative gas chromatography difficult. The integrated ion-current technique is applied to determine lead heptafluorobutanoylpivalylmethanate in the range 10-9–10-7 g of lead, but a lower detection limit of ca. 10-14 g is indicated. 相似文献
10.