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41.
Foundations of Computational Mathematics - We present a finite element variational integrator for compressible flows. The numerical scheme is derived by discretizing, in a structure-preserving way,... 相似文献
42.
Chueshova A. G. Pavlova L. A. Peshcherova S. M. Nepomnyashchikh A. I. 《Crystallography Reports》2021,66(7):1206-1215
Crystallography Reports - The orientation of grains and the special boundaries formed by them in multicrystalline silicon has been studied by electron backscattered diffraction. It is found that... 相似文献
43.
Crystallography Reports - Some questions related to the establishment, development, and prospects of physical studies using inelastic thermal-neutron scattering are briefly reviewed. The directions... 相似文献
44.
Crystallography Reports - The specific features of the formation of crystallites in gallium arsenide crystals grown by the Czochralski method have been investigated. The crystallites are found to... 相似文献
45.
S. Venkatesan S. Suresh P. Ramu M. Kandasamy J. Arumugam S. Thambidurai K.M. Prabu N. Pugazhenthiran 《印度化学会志》2022,99(5):100436
A facile biosynthesis route was followed to prepare zinc oxide nanoparticles (ZnO NPs) using Euphorbia milii (E. milii) leaf constituents. The SEM images exhibited presence of spherical ZnO NPs and the corresponding TEM images disclosed monodisperse nature of the ZnO NPs with diameter ranges between 12 and 20 nm. The Brunauer–Emmett–Teller (BET) analysis revealed that the ZnO NPs have specific surface area of 20.46 m2/g with pore diameter of 2 nm–10 nm and pore volume of 0.908 cm3/g. The EDAX spectrum exemplified the existence of Zn and O elements and non-appearance of impurities that confirmed pristine nature of the ZnO NPs. The XRD pattern indicated crystalline peaks corresponding to hexagonal wurtzite structured ZnO with an average crystallite size of 16.11 nm. The FTIR spectrum displayed strong absorption bands at 512 and 534 cm?1 related to ZnO. The photocatalytic action of ZnO NPs exhibited noteworthy degradation of methylene blue dye under natural sunlight illumination. The maximum degradation efficiency achieved was 98.17% at an illumination period of 50 min. The reusability study proved considerable photostability of the ZnO NPs during photocatalytic experiments. These findings suggest that the E. milii leaf constituents can be utilized as suitable biological source to synthesis ZnO NPs for photocatalytic applications. 相似文献
46.
Satyanarayana A. V. S. Rao M. Jagannadha Mouli K. Chandra 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(3):1509-1513
Journal of Radioanalytical and Nuclear Chemistry - 相似文献
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Pengjin Qin Li-An Wang Prof. Joseph M. O'Connor Prof. Kim K. Baldridge Yifan Li Burak Tufekci Jiyue Chen Prof. Arnold L. Rheingold 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(41):18114-18121
Triene 6π electrocyclization, wherein a conjugated triene undergoes a concerted stereospecific cycloisomerization to a cyclohexadiene, is a reaction of great historical and practical significance. In order to circumvent limitations imposed by the normally harsh reaction conditions, chemists have long sought to develop catalytic variants based upon the activating power of metal–alkene coordination. Herein, we demonstrate the first successful implementation of such a strategy by utilizing [(C5H5)Ru(NCMe)3]PF6 as a precatalyst for the disrotatory 6π electrocyclization of highly substituted trienes that are resistant to thermal cyclization. Mechanistic and computational studies implicate hexahapto transition-metal coordination as responsible for lowering the energetic barrier to ring closure. This work establishes a foundation for the development of new catalysts for stereoselective electrocyclizations. 相似文献
50.
Dr. Yulia Y. Enakieva Dr. Anna A. Sinelshchikova Prof. Mikhail S. Grigoriev Prof. Vladimir V. Chernyshev Dr. Konstantin A. Kovalenko Prof. Irina A. Stenina Prof. Andrey B. Yaroslavtsev Prof. Yulia G. Gorbunova Prof. Aslan Y. Tsivadze 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(45):10552-10556
The design of new solid-state proton-conducting materials is a great challenge for chemistry and materials science. Herein, a new anionic porphyrinylphosphonate-based MOF ( IPCE-1Ni ), which involves dimethylammonium (DMA) cations for charge compensation, is reported. As a result of its unique structure, IPCE-1Ni exhibits one of the highest value of the proton conductivity among reported proton-conducting MOF materials based on porphyrins (1.55×10−3 S cm−1 at 75 °C and 80 % relative humidity). 相似文献