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1.
Giang Truong Nguyen Prof. Dr. Liviu Ungur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200227
Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs. 相似文献
2.
Simen Gjelseth Antonsen Arne Joakim C. Bunkan Tomas Mikoviny Yngve Stenstrøm Armin Wisthaler 《Molecular physics》2020,118(15)
The kinetics of the O3, OH and NO3 radical reactions with diazomethane were studied in smog chamber experiments employing long-path FTIR and PTR-ToF-MS detection. The rate coefficients were determined to be k CH2NN+O3?=?(3.2?±?0.4)?×?10?17 and k CH2NN+OH?=?(1.68?±?0.12)?×?10?10 cm3 molecule?1 s?1 at 295?±?3?K and 1013?±?30 hPa, whereas the CH2NN?+?NO3 reaction was too fast to be determined in the static smog chamber experiments. Formaldehyde was the sole product observed in all the reactions. The experimental results are supported by CCSD(T*)-F12a/aug-cc-pVTZ//M062X/aug-cc-pVTZ calculations showing the reactions to proceed exclusively via addition to the carbon atom. The atmospheric fate of diazomethane is discussed. 相似文献
3.
固体力学有限元体系的结构拓扑变化理论 总被引:2,自引:1,他引:1
本文是文[1]的继续.文[1]提出了杆件系统的结构拓扑变化理论和拓扑变化法本文将这一理论和方法推进到连续体有限元体系;且在此基础上揭示出有限元体系的一个新性质,称为基本位移之梯度的正交性定理,从而给出一套设计敏度的显式表达式,可直接用于计算. 相似文献
4.
We present a general scheme for entangling any degree of freedom of two uncorrelated identical particles from independent
sources by a combination of two-particle interferometry and which-way detection. We show that this entanglement generation
procedure works for completely random initial states of the variable to be entangled. We also demonstrate a curious complementarity
exhibited by our scheme and its applications in estimating the generated entanglement as a function of wave packet overlap
at the beamsplitter. 相似文献
5.
On Quantum Team Games 总被引:2,自引:0,他引:2
E. Ahmed M. F. Elettreby A. S. Hegazi 《International Journal of Theoretical Physics》2006,45(5):880-886
Recently Liu and Simaan (2004) convex static multi-team classical games have been introduced. Here they are generalized to both nonconvex, dynamic and quantum games. Puu's incomplete information dynamical systems are modified and applied to Cournot team game. The replicator dynamics of the quantum prisoner's dilemma game is also studied. 相似文献
6.
A Dirac picture perturbation theory is developed for the time evolution operator in classical dynamics in the spirit of the Schwinger–Feynman–Dyson perturbation expansion and detailed rules are derived for computations. Complexification formalisms are given for the time evolution operator suitable for phase space analyses, and then extended to a two-dimensional setting for a study of the geometrical Berry phase as an example. Finally a direct integration of Hamilton's equations is shown to lead naturally to a path integral expression, as a resolution of the identity, as applied to arbitrary functions of generalized coordinates and momenta. 相似文献
7.
8.
X-ray diffraction patterns of nanocrystalline Fe-Cu-Nb-Si-B (FINEMET) alloys reveal that bcc α-Fe/α-FeSi crystallites with
the average grain size of 20(5) nm are dispersed in amorphous matrix. Enhanced electron—electron interaction (EEI) and quantum
interference (QI) effects as well as electron-magnon (and/or electron-spin fluctuation) scattering turn out to be the main
mechanisms that govern the temperature dependence of resistivity. Of all the inelastic scattering processes, inelastic electron-phonon
scattering is the most effective mechanism to destroy phase coherence of electron wave functions. The diffusion constant,
density of states at the Fermi level and the inelastic scattering time have been estimated, for the first time, for the alloys
in question
Article presented at the International Symposium on Advances in Superconductivity and Magnetism: Materials, Mechanisms and
Devices, ASMM2D-2001, 25–28 September 2001, Mangalore, India. 相似文献
9.
A. Khrennikov 《Annalen der Physik》2003,12(10):575-585
We study the probabilistic consequences of the choice of the basic number field in the quantum formalism. We demonstrate that by choosing a number field for a linear space representation of quantum model it is possible to describe various interference phenomena. We analyse interference of probabilistic alternatives induced by real, complex, hyperbolic (Clifford) and p‐adic representations. 相似文献
10.
Richard Moeckel 《Transactions of the American Mathematical Society》2005,357(8):3105-3117
The five relative equilibria of the three-body problem give rise to solutions where the bodies rotate rigidly around their center of mass. For these solutions, the moment of inertia of the bodies with respect to the center of mass is clearly constant. Saari conjectured that these rigid motions are the only solutions with constant moment of inertia. This result will be proved here for the planar problem with three nonzero masses with the help of some computational algebra and geometry.