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81.
Low-lying vacant molecular orbitals may lead not only to a breakdown of Koopmans' theorem but also to satellite structure in photoelectron spectra. This paper reports examples of the relatively infrequent appearance of shake-up satellites in Hel photoelectron spectra, namely those of N2O4 and CH3NO. An extended version of the HAM/3 program was used to interpret these spectra. 相似文献
82.
John T. W. Lai Frankie W. Lau Damon Robb Peter Westh Gerda Nielsen Christa Trandum Aase Hvidt Yoshikata Koga 《Journal of solution chemistry》1995,24(1):89-102
The excess partial molar enthalpies, the vapor pressures, and the densities of dimethylsulfoxide (DMSO)–H2O mixtures were measured and the excess partial molar Gibbs energies and the partial molar volumes were calculated for DMSO and for H2O. The values of the excess partial molar Gibbs energies for both DMSO and H2O are negative over the entire composition range. The results for the water-rich region indicated that the presence of DMSO enhances the hydrogen bond network of H2O. Unlike monohydric alcohols, however, the solute-solute interaction is repulsive in terms of the Gibbs energy. This was a result of the fact that the repulsion among solutes in terms of enthalpy surpassed the attraction in terms of entropy. The data in the DMSO-rich region suggest that DMSO molecules form clusters which protect H2O molecules from exposure to the nonpolar alkyl groups of DMSO. 相似文献
83.
To improve the productivities of an automated container terminal, it is important to schedule different types of handling
equipment in an integrated way. A mixed-integer programming model, which considers various constraints related to the integrated
operations between different types of handling equipment, is formulated. A heuristic algorithm, called multi-layer genetic
algorithm (MLGA) is developed with a view to overcome the computation difficulty for solving the mathematical model. A numerical
experimentation is carried out in order to evaluate the performance of the algorithm. 相似文献
84.
85.
Self-Affine Sets and Graph-Directed Systems 总被引:1,自引:0,他引:1
Abstract. A self-affine set in R
n
is a compact set T with A(T)= ∪
d∈ D
(T+d) where A is an expanding n× n matrix with integer entries and D
={d
1
, d
2
,···, d
N
} ⊂ Z
n
is an N -digit set. For the case N = | det(A)| the set T has been studied in great detail in the context of self-affine tiles. Our main interest in this paper is to consider the
case N > | det(A)| , but the theorems and proofs apply to all the N . The self-affine sets arise naturally in fractal geometry and, moreover, they are the support of the scaling functions in
wavelet theory. The main difficulty in studying such sets is that the pieces T+d, d∈ D, overlap and it is harder to trace the iteration. For this we construct a new graph-directed system to determine whether
such a set T will have a nonvoid interior, and to use the system to calculate the dimension of T or its boundary (if T
o
≠ ). By using this setup we also show that the Lebesgue measure of such T is a rational number, in contrast to the case where, for a self-affine tile, it is an integer. 相似文献
86.
87.
Anthony To-Ming Lau 《Journal of Functional Analysis》2008,254(10):2513-2533
In this paper, we explore the properties of projections of norm one on general Banach algebras, in particular the relation with conditional expectations for algebras which arise in harmonic analysis. 相似文献
88.
In this paper, we shall establish a fixed point property on Fréchet spaces for left reversible semitopological semigroups generalizing some classical results. 相似文献
89.
90.
Eike Lau 《Inventiones Mathematicae》2008,171(3):617-628
Over p-adic Nagata rings, formal p-divisible groups are classified by nilpotent displays according to T. Zink. We extend this result to arbitrary p-adic rings. The proof uses the Grothendieck–Illusie deformation theory of truncated p-divisible groups. 相似文献