排序方式: 共有15条查询结果,搜索用时 31 毫秒
1.
2.
ter Steege DH Smits M de Lange CA Westwood NP Peel JB Visscher L 《Faraday discussions》2000,(115):259-69; discussion 303-30
A (2 + 1) one-colour resonance-enhanced multiphoton ionisation study is carried out on the C 2 sigma- state of the ClO radical in the one-photon energy range 29,500-31,250 cm-1. The ClO radical is produced by one-photon photolysis of ClO2 employing 359.2 nm photons derived from a separate laser. In this way a significant concentration of vibrationally excited ClO in its spin-orbit split X 2 pi omega (omega = 3/2 or 1/2) electronic ground state is produced. In addition to mass-resolved excitation spectra, kinetic-energy resolved photoelectron spectra for the X 3 sigma-(v+)<--C 2 sigma-(v' = 3-5) transitions are measured. These transitions are not completely Frank-Condon diagonal, and indicate a decrease in bond length on removal of the Rydberg electron from the C 2 sigma- state. In addition to an unambiguous assignment of the C 2 sigma- state, valuable information is obtained on the degree of vibrational excitation with which the nascent ClO radical is formed in the photolysis of ClO2. Analysis of the photoelectron spectra is supported by Franck-Condon calculations based on potential energy curves either from experimental spectroscopic parameters, or obtained by theoretical ab initio methods. 相似文献
3.
The design, fabrication, and testing of photoelastic models of double-lap, multiple-pin connectors are discussed. Interest
is in the stresses in the inner laps. These stresses are determined by constructing models with photoelastic inner laps and
transparent-acrylic outer laps. The connectors have two pins, in tandem, parallel to the load direction. A photoelastic-isotropic
point is shown to permit the evaluation of load sharing between the two pins. A numerical scheme, utilizing the isochromatic-
and isoclinic-photoelastic data and a finite-difference representation of the planestress equilibrium equations, is used to
compute the stresses around the two pins. Representative stress distributions and stress-concentration factors are shown. 相似文献
4.
Catherine Paradis-Bleau Adrian Lloyd François Sanschagrin Tom Clarke Ann Blewett Timothy DH Bugg Roger C Levesque 《BMC biochemistry》2008,9(1):33
Background
To develop antibacterial agents having novel modes of action against bacterial cell wall biosynthesis, we targeted the essential MurF enzyme of the antibiotic resistant pathogen Pseudomonas aeruginosa. MurF catalyzes the formation of a peptide bond between D-Alanyl-D-Alanine (D-Ala-D-Ala) and the cell wall precursor uridine 5'-diphosphoryl N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-diaminopimelic acid (UDP-MurNAc-Ala-Glu-meso-A2pm) with the concomitant hydrolysis of ATP to ADP and inorganic phosphate, yielding UDP-N-acetylmuramyl-pentapeptide. As MurF acts on a dipeptide, we exploited a phage display approach to identify peptide ligands having high binding affinities for the enzyme. 相似文献5.
6.
The fracture of thick laminated graphite/epoxy composites has been the subject of an extensive research program. The program
was divided into three major areas of investigation which included laminate thickness, laminate stacking sequence, and part-through
surface flaws. The results from this program are reviewed with emphasis placed on their applicability to the design of thick
laminated composite structures.
Paper was presented at 1985 SEM Spring Conference on Experimental Mechanics held in Las Vegas on June 9–14, 1985. 相似文献
7.
The authors propose a new approach to understand the electrostatic surface contributions to the interactions of large but finite periodic distributions of charges. They present a simple method to derive and interpret the surface contribution to any electrostatic field produced by a periodic distribution of charges. They discuss the physical and mathematical interpretations of this term. They present several examples and physical details associated with the calculation of the surface term. Finally, they provide a simple derivation of the surface contribution to the virial. This term does not disappear even if tinfoil boundary conditions are applied. 相似文献
8.
Molecular dynamics simulations of lipids bilayers have reported that the average area per lipid increases with the size of the simulated unit cell under constant temperature, pressure, and number of molecules. Here we show that the cause of this finite size effect are artifacts associated with the heat bath coupling. This can be corrected by coupling individually each degree of freedom to the heat bath, instead of coupling globally the system. We present the results of the investigation on three aspects of molecular dynamics simulations and their effect on the computed average area per lipid: (I) the accuracy in the computation of electrostatic interactions, the energy, and the virial, (II) long range Lennard-Jones interactions for systems with symmetry in one plane, and (III) thermodynamic baths. We show that the average area per lipid remains constant for simulations of systems containing 32, 64, and 256 lipids. 相似文献
9.
Carlos Herce Benedetta de Caprariis Stefano Stendardo Nicola Verdone Paolo De Filippis 《Journal of Thermal Analysis and Calorimetry》2014,117(1):507-516
Coal gasification and combustion are strongly dependent on devolatilization step. Aim of this work is to obtain the parameters of global kinetics of devolatilization of a sub-bituminous coal with high sulfur content. The kinetic parameters are obtained by means of TG experimental data, and applying different approaches to extrapolate the data to industrial relevant conditions. The simpler method is a model-free one which supposes a single step process whose Arrhenius kinetic parameters (A and E a) have to be determined. Another common approach is the distributed activation energy model (DAEM) which assumes a series of first order parallel reactions occurring and sharing the same pre-exponential factor, A, with a continuous distribution of the activation energy. For the fitting of the experimental data, a numerical solution to DAEM and two approximate methods have been evaluated. Moreover, the results of these kinetic methods based on empirical approaches were compared with simulated data obtained using a more complex model based on percolation theory with cross-linking mechanism and vapor–liquid equilibrium (chemical percolation devolatilization, CPD model), which allows to simulate the coal pyrolysis from volatile yield data. 相似文献
10.