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1.
The existence of a homoclinic orbit in dynamical systems implies chaotic behaviour with positive entropy. In this work, we determine explicitly the Markov shifts associated to certain Smale horseshoe homoclinic orbits which allow us to compute a lower bound for the topological entropy that such a system can have. It is done associating a heteroclinic orbit which belongs to the same isotopy class and then determining the Markov partition of the dynamical core of an end periodic mapping. 相似文献
2.
Nolte Steffen Fink Reinhard Krooss Bernhard M. Amann-Hildenbrand Alexandra Wang Yue Wang Moran Schmatz Joyce Klaver Jop Littke Ralf 《Transport in Porous Media》2021,137(3):519-553
Transport in Porous Media - To improve the understanding of gas transport processes in tight rocks (e.g., shales), systematic flow tests with different gases were conducted on artificial micro- to... 相似文献
3.
Dr. Ritesh Haldar Kamal Batra Stefan Michael Marschner Dr. Agnieszka B. Kuc Dr. Stefan Zahn Prof. Dr. Roland A. Fischer Prof. Dr. Stefan Bräse Prof. Dr. Thomas Heine Prof. Dr. Christof Wöll 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(33):7847-7851
In organic photovoltaics, porphyrins (PPs) are among the most promising compounds owing to their large absorption cross-section, wide spectral range, and stability. Nevertheless, a precise adjustment of absorption band positions to reach a full coverage of the so-called green gap has not been achieved yet. We demonstrate that a tuning of the PP Q- and Soret bands can be carried out by using a computational approach for which substitution patterns are optimized in silico. The most promising candidate structures were then synthesized. The experimental UV/Vis data for the solvated compounds were in excellent agreement with the theoretical predictions. By attaching further functionalities, which allow the use of PP chromophores as linkers for the assembly of metal-organic frameworks (MOFs), we were able to exploit packing effects resulting in pronounced redshifts, which allowed further optimization of the photophysical properties of PP assemblies. Finally, we use a layer-by-layer method to assemble the PP linkers into surface-mounted MOFs (SURMOFs), thus obtaining high optical quality, homogeneous and crystalline multilayer films. Experimental results are in full accord with the calculations, demonstrating the huge potential of computational screening methods in tailoring MOF and SURMOF photophysical properties. 相似文献
4.
The minor relation of functions is generalized to multisorted functions. Pippenger’s Galois theory for minor-closed sets of functions is extended to multisorted functions and multisorted relation pairs. Reflections of minor-closed sets are again minor-closed, and the effect of reflections on the invariant relation pairs of minor-closed sets of multisorted functions is described. 相似文献
5.
Inside Back Cover: Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study (Chem. Eur. J. 45/2016) 下载免费PDF全文
6.
Alexandru Vlasceanu Dr. Søren L. Broman Anne S. Hansen Anders B. Skov Prof. Dr. Martina Cacciarini Prof. Dr. Anders Kadziola Prof. Dr. Henrik G. Kjaergaard Prof. Dr. Kurt V. Mikkelsen Prof. Dr. Mogens Brøndsted Nielsen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(31):10796-10800
The conversion and efficient storage of solar energy is recognized to hold significant potential with regard to future energy solutions. Molecular solar thermal batteries based on photochromic systems exemplify one possible technology able to harness and apply this potential. Herein is described the synthesis of a macrocycle based on a dimer of the dihydroazulene/vinylheptafulvene (DHA/VHF) photo/thermal couple. By taking advantage of conformational strain, this DHA–DHA macrocycle presents an improved ability to absorb and store incident light energy in chemical bonds (VHF–VHF). A stepwise energy release over two sequential ring‐closing reactions (VHF→DHA) combines the advantages of an initially fast discharge, hypothetically addressing immediate energy consumption needs, followed by a slow process for consistent, long‐term use. This exemplifies another step forward in the molecular engineering and design of functional organic materials towards solar thermal energy storage and release. 相似文献
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