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排序方式: 共有82条查询结果,搜索用时 10 毫秒
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V. Karimäki R. Kinnunen M. Korkea-aho J. Tuominiemi G. W. van Apeldoorn D. Harting D. J. Holthuizen B. J. Pijlgroms P. Johnson P. Mason P. Michaelides Ch. Michaelidou H. Muirhead G. D. Patel G. Ekspong T. Moa S. Nilsson 《Zeitschrift fur Physik C Particles and Fields》1981,9(2):117-129
Inclusive production of ?0,K *±(892), andf is studied in \(\bar p\) p interactions at 12 GeV/c. The inclusive cross sections for ?0,K *±(892), andf are found to be 6.7±0.3 mb, 1.0±0.2 mb, and 1.4±0.3 mb, respectively. The differential cross sections are presented as a function of c.m. rapidity, Feynmanx and square of the transverse momentump T 2 . Comparison with the correspondingpp data shows some interesting differences which can be attributed to the \(\bar p\) p annihilation. The results are compared with the predictions of the quark fusion model. 相似文献
3.
Global approximation to arbitrary cost functions: A Bayesian approach with application to US banking
Panayotis G. Michaelides Efthymios G. Tsionas Angelos T. Vouldis Konstantinos N. Konstantakis 《European Journal of Operational Research》2015
This paper proposes and estimates a globally flexible functional form for the cost function, which we call Neural Cost Function (NCF). The proposed specification imposes a priori and satisfies globally all the properties that economic theory dictates. The functional form can be estimated easily using Markov Chain Monte Carlo (MCMC) techniques or standard iterative SURE. We use a large panel of U.S. banks to illustrate our approach. The results are consistent with previous knowledge about the sector and in accordance with mathematical production theory. 相似文献
4.
Ranea VA Michaelides A Ramírez R de Andres PL Vergés JA King DA 《Physical review letters》2004,92(13):136104
Based on the results of density functional theory calculations, a novel mechanism for the diffusion of water dimers on metal surfaces is proposed, which relies on the ability of H bonds to rearrange through quantum tunneling. The mechanism involves quasifree rotation of the dimer and exchange of H-bond donor and acceptor molecules. At appropriate temperatures, water dimers diffuse more rapidly than water monomers, thus providing a physical explanation for the experimentally measured high diffusivity of water dimers on Pd[111] [Science 297, 1850 (2002)]]. 相似文献
5.
Quantum Monte Carlo calculations with the diffusion Monte Carlo (DMC) method have been used to compute the binding energy curves of hydrogen on benzene, coronene, and graphene. The DMC results on benzene agree with both M?ller-Plessett second order perturbation theory (MP2) and coupled cluster with singles, doubles, and perturbative triples [CCSD(T)] calculations, giving an adsorption energy of ~25 meV. For coronene, DMC agrees well with MP2, giving an adsorption energy of ~40 meV. For physisorbed hydrogen on graphene, DMC predicts a very small adsorption energy of only 5 ± 5 meV. Density functional theory (DFT) calculations with various exchange-correlation functionals, including van der Waals corrected functionals, predict a wide range of binding energies on all three systems. The present DMC results are a step toward filling the gap in accurate benchmark data on weakly bound systems. These results can help us to understand the performance of current DFT based methods, and may aid in the development of improved approaches. 相似文献
6.
Bocquet ML Michaelides A Loffreda D Sautet P Alavi A King DA 《Journal of the American Chemical Society》2003,125(19):5620-5621
Reaction mechanisms and activation energies for the complete conversion of ethene to ethene epoxide on two recently characterized oxidized Ag{111} surfaces have been determined from density functional theory. On both surfaces, epoxidation proceeds through a two-step nonconcerted mechanism via an oxametallacycle intermediate. The key implications are that both surfaces are active and that epoxidation can take place over a wide O coverage regime. 相似文献
7.
离子型共聚单体参与下的全氟丙烯酸酯无皂乳液共聚 总被引:4,自引:0,他引:4
离子型共聚单体参与下的全氟丙烯酸酯无皂乳液共聚;全氟烷基丙烯酸酯;无皂乳液;离子型共聚单体 相似文献
8.
Lasers and amplifiers in a single fiber have been developed rapidly, especially for optical fiber communication and various sensors, in the recent years. However, remarkable progress and achievement have been made mainly in silica fiber doped with rare earth elements. In this paper, we report the progress on the development of the Yb3+-doped phosphate fiber laser. 相似文献
9.
Hu XL Carrasco J Klimeš J Michaelides A 《Physical chemistry chemical physics : PCCP》2011,13(27):12447-12453
The interaction of water with solid surfaces is key to a wide variety of industrial and natural processes. However, the basic principles that dictate how stable and in which state (intact or dissociated) water will be on a given surface are not fully understood. Towards this end, we have used density functional theory to examine water monomer adsorption on the (001) surfaces of a broad range of alkaline earth oxides, alkaline earth sulfides, alkali fluorides, and alkali chlorides. Some interesting general conclusions are arrived at: (i) on all the surfaces considered only a few specific adsorption structures are favoured; (ii) water becomes more stable upon descending the oxide and fluoride series but does not vary much upon going down the chloride and sulfide series; (iii) water is stabilised both by an increase in the lattice constant, which facilitates hydrogen bonding to the substrate, and by the flexibility of the substrate. These are also factors that favour water dissociation. We hope that this study is of some value in better understanding the surface science of water in general, and in assisting in the interpretation and design of future experiments. 相似文献
10.
MATTHEW T. STONE PIETER J. IN 'T VELD YING LU ISAAC C. SANCHEZ 《Molecular physics》2013,111(17):2773-2792
In this study Monte Carlo simulations are used to determine the solvation properties of model hydrophobic (xenon and hard sphere) and hydrophilic (dimethyl ether) solutes in SPC/E water. Various contributions to the experimental solvation entropy, including the solvent reorganization entropy, have been determined. The main conclusion drawn, which is in accord with solubility data, is that poor solubility correlates with poor solute-water interaction. At room temperature, energy dominates the aqueous solubility of both hydrophobic and hydrophilic solutes, rather than entropy. However, at higher temperatures the solubility can pass through a minimum, and then entropy becomes dominant. Another interesting finding is the presence of larger than expected cavities in water. Two different simulation results support this finding. This unexpected hollow structure in water explains why a hard sphere solute is more soluble in water than in a comparable hard sphere or Lennard-Jones solvent. Hydrogen bonding causes water to aggregate into clusters that produce a few large cavities rather than many smaller cavities. The propensity for clustering also explains why water gives the illusion of being a low density liquid. Sufficient theoretical apparatus is developed to connect theoretical solvation properties to those measured by simulation and experiment. Finally, based on gas solubility, an intuitive hydrophobic/hydrophilic scale is developed. 相似文献