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1.
Chemical bonding in representative astrophysically relevant neutral,cation, and anion HCnH chains 下载免费PDF全文
Ioan Baldea 《中国物理 B》2022,31(12):123101-123101
Most existing studies assign a polyynic and cumulenic character of chemical bonding in carbon-based chains relying on values of the bond lengths. Building on our recent work, in this paper we add further evidence on the limitations of such an analysis and demonstrate the significant insight gained via natural bond analysis. Presently reported results include atomic charges, natural bond order and valence indices obtained from ab initio computations for representative members of the astrophysically relevant neutral and charged HC2k/2k+1H chain family. They unravel a series of counter-intuitive aspects and/or help naive intuition in properly understanding microscopic processes, e.g., electron removal from or electron attachment to a neutral chain. Demonstrating that the Wiberg indices adequately quantify the chemical bonding structure of the HC2k/2k+1H chains—while the often heavily advertised Mayer indices do not—represents an important message conveyed by the present study. 相似文献
2.
Bucataru Ioan Constantinescu Oana Creţu Georgeta 《Annals of Global Analysis and Geometry》2022,62(4):815-827
Annals of Global Analysis and Geometry - We prove that in a Finsler manifold with vanishing $$\chi $$ -curvature (in particular with constant flag curvature) some non-Riemannian geometric... 相似文献
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Marco Biroli Silvia Mataloni Michele Matzeu 《NoDEA : Nonlinear Differential Equations and Applications》2005,12(3):295-321
Some stability results for Mountain Pass and Linking type solutions of semilinear problems involving a very general class
of Dirichlet forms are stated. The non linear terms are supposed to have a suitable superlinear growth and the family of Dirichlet
forms is required to be dominated from below and from above by a fixed diffusion type form. Some concrete examples are also
given. 相似文献
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Riad Hassani Patrick Hild Ioan Ionescu 《Mathematical Methods in the Applied Sciences》2004,27(1):47-67
We consider the Signorini problem with Coulomb friction in elasticity. Sufficient conditions of non‐uniqueness are obtained for the continuous model. These conditions are linked to the existence of real eigenvalues of an operator in a Hilbert space. We prove that, under appropriate conditions, real eigenvalues exist for a non‐local Coulomb friction model. Finite element approximation of the eigenvalue problem is considered and numerical experiments are performed. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
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Silvia Vogel 《Annals of Operations Research》2006,142(1):269-282
The paper considers upper semicontinuous behavior in distribution of sequences of random closed sets. Semiconvergence in distribution
will be described via convergence in distribution of random variables with values in a suitable topological space. Convergence
statements for suitable functions of random sets are proved and the results are employed to derive stability statements for
random optimization problems where the objective function and the constraint set are approximated simultaneously.
The author is grateful to two anonymous referees for helpful suggestions. 相似文献
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In [7] point-reflection geometries were studied which can be derived from commutative kinematic
spaces without involutory elements. But the class of point-reflection geometries is larger. For example, elliptic
planes with their reflections cannot be derived from commutative kinematic spaces. Here we investigate a larger
class of reflection geometries.This paper was sponsored by Vigoni Program 1999. 相似文献