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71.
Influence theory is a foundational theory of physics that is not based on traditional empirically defined concepts, such as positions in space and time, mass, energy, or momentum. Instead, the aim is to derive these concepts, and their empirically determined relationships, from a more primitive model. It is postulated that there exist things, which are call particles, that influence one another in a discrete and directed fashion resulting in a partially ordered set of influence events. The problem of consistent quantification of the influence events is considered. Observers are modeled as particle chains (observer chains) as if an observer were able to track a particle and quantify the influence events that the particle experiences. From these quantified influence events, consistent quantification of the universe of events based on the observer chains is studied. Herein, the kinematics and dynamics of particles from the perspective of influence theory are both reviewed and further developed. 相似文献
72.
Dr. Dinar Abdullin Nico Fleck Christoph Klein Philipp Brehm Sebastian Spicher Prof. Dr. Arne Lützen Prof. Dr. Stefan Grimme Prof. Dr. Olav Schiemann 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(10):2586-2596
Iron(III) porphyrins have the propensity to form μ2-oxo-dimers, the structures of which resemble two wheels on an axle. Whereas their crystal structure is known, their solution structure and internal dynamics is not. In the present work, the structure and dynamics of such dimers were studied by means of electron paramagnetic resonance (EPR) spectroscopy and quantum chemistry based molecular dynamics (MD) simulations by using the semiempirical tight-binding method (GFN-xTB). To enable EPR investigation of the dimers, a nitroxide was attached to each of the tetraphenylporphyrin cores through a linear and a bent linker. The inter-nitroxide distance distributions within the dimers were determined by continuous-wave (cw)-EPR and pulsed electron–electron double resonance (PELDOR or DEER) experiments and, with the help of MD, interpreted in terms of the rotation of the porphyrin planes with respect to each other around the Fe–O–Fe axis. It was found that such rotation is restricted to the four registers defined by the phenyl substituents. Within the registers, the rotation angle swings between 30° and 60° in the proximal and between 125° and 145° in the distal register. With EPR, all four angles were found to be equally populated, whereas the 30° and 145° angles are strongly favored to the expense of the 60° and 125° angles in the MD simulation. In either case, the internal dynamics of these dimers thus resemble the motion of a step motor. 相似文献
73.
74.
Khudina O. G. Ivanova A. E. Burgart Ya. V. Pervova M. G. Shatunova T. V. Borisevich S. S. Khursan S. L. Saloutin V. I. 《Russian Journal of Organic Chemistry》2019,55(6):782-791
Russian Journal of Organic Chemistry - The structure of 6-polyfluoroalkyl-2-thiouracils and reactivity of nucleophilic centers in their molecules were analyzed by quantum chemical calculations.... 相似文献
75.
Jorge Ferreira Raquel Zilz Igor S. Boeira Sabrina M. da Silva Adriana C.A. Casagrande Osvaldo L. Casagrande 《应用有机金属化学》2019,33(3)
A new set of Cr(III) complexes, {L}CrCl3(THF), based on thiophene–imine ( 2a , L = PhOC6H4(N═CH)‐2‐SC4H3; 2b , L = PhOC2H4(N═CH)‐2‐SC4H3; 2c , L = Ph(NH)C2H4(N═CH)‐2‐SC4H3; 2d , L = PhOC6H4(N═CH)‐2‐SC4H2‐5‐Ph; 2e , L = Ph(NH)C2H4(N═CH)‐2‐SC4H2‐5‐Ph) have been prepared and characterized using elemental analysis and infrared spectroscopy. Upon activation with methylaluminoxane, all the chromium complexes generated active systems affording a nonselective distribution of α‐olefins with turnover frequencies in the range 9500–93 500 (mol ethylene) (mol Cr)?1 h?1, and producing mostly oligomers (95.0–99.3 wt% of total products). Small amounts of polymer were produced in these oligomerization reactions (0.8–8.2 wt%). The catalytic activities were quite sensitive to the ligand environment. Moreover, the effects of oligomerization parameters (temperature, [Al]/[Cr] molar ratio, time) on the activity and on the product distribution were examined. 相似文献
76.
Radiophysics and Quantum Electronics - It is demonstrated that Maxwell’s equations permit the existence of invisible spherical objects made of materials with isotropic electromagnetic... 相似文献
77.
Vysotskii S. L. Kozhevnikov A. V. Filimonov Yu. A. 《Physics of the Solid State》2021,63(10):1579-1583
Physics of the Solid State - The interference of excited and received by current antennae magnetoelastic waves counterpropagating in an yttrium iron garnet film is experimentally studied. It is... 相似文献
78.
Russian Physics Journal - The relaxation of elastic energy during macroscopic plastic deformation in a rigorous formulation is determined by solutions of the system of nonlinear equations of... 相似文献
79.
Romanova O. B. Kretinin V. V. Aplesnin S. S. Sitnikov M. N. Udod L. V. Yanushkevich K. I. 《Physics of the Solid State》2021,63(6):897-903
Physics of the Solid State - Semiconductor BiFe0.95Co0.05O3 thin-film compounds have been synthesized by a burst technique. The film surface morphology and the effect of electronic doping via... 相似文献
80.
Algebras and Representation Theory - We introduce and study the category of twisted modules over a triangular differential graded bocs. We show that in this category idempotents split, that it... 相似文献