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1.
Dominik Vítek Prof. Aleš Růžička Lise Vermeersch Dr. Libor Dostál Dr. Jan Turek Prof. Roman Jambor 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(70):e202202639
Reactivity studies of the GeII→B complex L(Cl)Ge⋅BH3 ( 1 ; L=2-Et2NCH2-4,6-tBu2-C6H2) were performed to determine the effect on the GeII→B donation. N-coordinated compounds L(OtBu)Ge⋅BH3 ( 2 ) and [LGe⋅BH3]2 ( 3 ) were prepared. The possible tuning of the GeII→B interaction was proved experimentally, yielding compounds 1-PPh2-8-(LGe)-C10H6 ( 4 ) and L(Cl)Ge⋅GaCl3 ( 5 ) without a GeII→B interaction. In 5 , an unprecedented GeII→Ga coordination was revealed. The experimental results were complemented by a theoretical study focusing on the bonding in 1 − 5 . The different strength of the GeII→E (E=B, Ga) donation was evaluated by using energy decomposition analysis. The basicity of different L(X)Ge groups through proton affinity is also assessed. 相似文献
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In this work we study nonnegativity and positivity of a discrete quadratic functional with separately varying endpoints. We introduce a notion of an interval coupled with 0, and hence, extend the notion of conjugate interval to 0 from the case of fixed to variable endpoint(s). We show that the nonnegativity of the discrete quadratic functional is equivalent to each of the following conditions: The nonexistence of intervals coupled with 0, the existence of a solution to Riccati matrix equation and its boundary conditions. Natural strengthening of each of these conditions yields a characterization of the positivity of the discrete quadratic functional. Since the quadratic functional under consideration could be a second variation of a discrete calculus of variations problem with varying endpoints, we apply our results to obtain necessary and sufficient optimality conditions for such problems. This paper generalizes our recent work in [R. Hilscher, V. Zeidan, Comput. Math. Appl., to appear], where the right endpoint is fixed. 相似文献
7.
Andrei K. Lerner 《Archiv der Mathematik》2005,85(6):538-543
We show that the Hardy-Littlewood maximal operator and a class of Calderón-Zygmund singular integrals satisfy the strong type
modular inequality in variable Lp spaces if and only if the variable exponent p(x) ∼ const.
Received: 15 September 2004 相似文献
8.
Guido Pintacuda Andrei Kaikkonen Gottfried Otting 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2004,171(2):387-243
Paramagnetic metal ions with fast-relaxing electronic spin and anisotropic susceptibility tensor provide a rich source of structural information that can be derived from pseudo-contact shifts, residual dipolar couplings, dipole-dipole Curie spin cross-correlation, and paramagnetic relaxation enhancements. The present study draws attention to a cross-correlation effect between nuclear relaxation due to anisotropic chemical shielding (CSA) and due to the anisotropic dipolar shielding (DSA) caused by the electronic Curie spin. This CSA x DSA cross-correlation contribution seems to have been overlooked in previous interpretations of paramagnetic relaxation enhancements. It is shown to be sufficiently large to compromise the 1/r6 distance dependence usually assumed. The effect cannot experimentally be separated from auto-correlated DSA relaxation. It can increase or decrease the observed paramagnetic relaxation enhancement. Under certain conditions, the effect can dominate the entire paramagnetic relaxation, resulting in nuclear resonances narrower than in the absence of the paramagnetic center. CSAxDSA cross-correlation becomes important when paramagnetic relaxation is predominantly due to the Curie rather than the Solomon mechanism. Therefore the effect is most pronounced for relaxation by metal ions with large magnetic susceptibility and fast-relaxing electron spin. It most strongly affects paramagnetic enhancements of transverse relaxation in macromolecules and of longitudinal relaxation in small molecules. 相似文献
9.
Andrei Finkelstein Olga Kosheleva Vladik Kreinovich 《International Journal of Theoretical Physics》1997,36(4):1009-1020
Inimage processing (e.g., inastronomy), the desired black-and-white image is, from the mathematical viewpoint, aset. Hence, to process images, we need to process sets. To define a generic set, we need infinitely many parameters; therefore,
if we want to represent and process sets in the computer, we must restrict ourselves to finite-parameter families of sets
that will be used to approximate the desired sets. The wrong choice of a family can lead to longer computations and worse
approximation. Hence, it is desirable to find the family that it isthe best in some reasonable sense. In this paper, we show how the problems of choosing the optimal family of sets can be formalized
and solved. As a result of the described general methodology, forastronomical images, we get exactly the geometric shapes that have been empirically used by astronomers and astrophysicists; thus, we have atheoretical explanation for these shapes. 相似文献
10.
This paper describes a method and the corresponding algorithms for simplification of large-scale linear programming models. It consists of the elimination of the balance constraints (i.e. constraints with zero RHS term). The idea is to apply some linear transformations to the original problem in order to nullify the balance constraints. These transformations are able to simultaneously eliminate more balance rows. The core of this contribution is the introduction of the reduction matrix and the associated theorems on the equivalent linear programs (original and reduced). The numerical experiments with this method of simplification proved this approach to be beneficial for a large class of LP problems.This research work was done while the first author was at Duisburg University, Mess-, Steuer und Regelungstechnik, Germany, under the greatly appreciated financial assistance given by the Alexander-von-Humboldt Foundation. 相似文献