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排序方式: 共有1226条查询结果,搜索用时 14 毫秒
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Structural Chemistry - Carbon force fields are widely used for obtaining structural properties of carbon nanomaterials. We evaluate the performance of a wide range of carbon force fields for... 相似文献
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Najjar Morvarid Hosseini Hasan Ali Masoudi Abdolhossein Hashemzadeh Alireza Darroudi Majid 《Research on Chemical Intermediates》2020,46(4):2155-2168
Research on Chemical Intermediates - In this research, tin oxide nanoparticles (SnO2-nanoparticles) are synthesized using sol–gel method in polymeric bed and considering the principals of... 相似文献
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Alireza Bandegi Kyungtae Kim Reza Foudazi 《Journal of polymer science. Part A, Polymer chemistry》2021,59(20):2334-2344
In this work, we investigate the effect of morphology and segmental dynamics on ion transport in polymerized lyotropic liquid crystals (polyLLCs) containing 1-butyl-3-methylimidazolium tetrafluoroborate as ionic liquid (IL). We demonstrate that two important factors, which affect ion conduction in polyLLCs, are grain size and chain density at the interface. The polyLLC with large grain size (70 nm) shows significant reduction in ion conductivity (one order of magnitude) compared to its homopolymer/IL mixture. However, the polyLLC with small grain size (20 nm) has little difference in ion conductivity compared to its homopolymer/IL mixture. It is observed that decreasing the chain density enhances the interaction of IL with polymer chains and consequently slows the relaxation of polymer chains. In addition, comparing the dynamics of polymer chains in mixtures of homopolymer/IL and templated LLC mesophases shows that the confinement in LLC structure prolongs the relaxation of polymer chains. 相似文献
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Zheng Yuanzhou Yang Haoran Mazaheri Hossein Aghaei Alireza Mokhtari Namjoo Afrand Masoud 《Journal of Thermal Analysis and Calorimetry》2021,143(2):1425-1438
Journal of Thermal Analysis and Calorimetry - The purpose of this study is to numerically investigate flow field and turbulent heat transfer of hybrid nanofluid, water–DWCNT–TiO2 in a... 相似文献
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Roushan Alireza Hassanjani Omrani Abdollah 《Journal of Thermal Analysis and Calorimetry》2021,144(1):107-118
Journal of Thermal Analysis and Calorimetry - This paper reports the successful synthesis of NaX nanocrystals using an organic, additive-free hydrothermal approach. Then, solution casting was used... 相似文献
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Efficacy of incorporating PCMs into the commercial wall on the energy-saving annual thermal analysis
Nguyen Quyen Naghieh Alireza Kalbasi Rasool Akbari Mohammad Karimipour Arash Tlili Iskander 《Journal of Thermal Analysis and Calorimetry》2021,143(3):2179-2187
Journal of Thermal Analysis and Calorimetry - In this study, the efficacy of incorporating phase change material (PCM) into the building walls on the annual heat transfer reduction is examined.... 相似文献
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Prof. Allan J. Canty Prof. Alireza Ariafard Prof. Gerard van Koten 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(67):15629-15635
Density Functional Theory studies of square-planar PtII pincer structures, (4-Z-NCN)PtCl ([4-Z-NCN]−=[4-Z-2,6-(Me2NCH2)2C6H2-N,C,N]−, Z=H, NO2, CF3, CO2H, CHO, Cl, Br, I, F, SMe, SiMe3, tBu, OH, NH2, NMe2), enable characterisation of mesomerism for the pincer-Pt interaction. Relationships between Hammett σp substituent parameters of Z and DFT data obtained from NBO6 and AOMix computation are used to probe the interaction of the 5dyz orbital of platinum with π-orbitals of the arene ring. Analogous computation for 2,6-(Me2CH2)2C6H3Z (Z=H, CF3, CHO, Cl, Br, I, F, SMe, SiMe3, tBu, OH, NH2) and (4-H-NCN)PtZ allows an estimation of the relative substituent effects of “(CH2NMe2)2PtZ” on π-delocalisation in the pincer system. 相似文献