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SUBSTITUTED: 作品数：971被引量：810H指数：9; 导出分析报告; 相关领域：理学更多>>; 相关作者：李中军李树春崔景荣曹朝暾李小红更多>>; 相关机构：北京大学中国科学院中山大学浙江工业大学更多>>; 相关期刊：更多>>; 相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家高技术研究发展计划更多>>

Cyano and Isocyano-substituted Tetraphenylethylene with AIE Behavior and Mechanoresponsive Behavior: 《Chinese Journal of Structural Chemistry》2022年第4期75-82,共8页Qing Liu Shusheng Yue Zhangqiang Yan Yongfa Xie Hu Cai; supported by the National Natural Science Foundation of China(21905127,22065023,21861026,22075123);Natural Science Foundation of Jiangxi Province(20212BAB203029)。; Dual-functional materials with AIE behavior and mechanoresponsive behavior have attracted considerable attention due to their promising applications in mechano-sensors,optical storage,solid-state optoelectric devices ...; 关键词：cyano-group isocyano-group tetraphenylethlene(TPE) aggregation induced emission(AIE) mechanochromic

Synthesis,Structural Characterization,Fluorescence Properties and Herbicidal Activity of Bis(substituted salicylaldehyde)Carbohydrazide Dibutyltin Complexes: 《Chinese Journal of Structural Chemistry》2021年第12期1639-1646,1553,共9页FENG Yong-Lan JIANG Wu-Jiu ZHANG Fu-Xing KUANG Dai-Zhi; Supported by the Innovation Platform Open Foundation for Colleges and Universities of Hunan Province(No.16k011);the Foundation of Key Laboratory of Functional Metal-organic Compounds of Hunan Province。; A series of dibutyltin complexes,(Bu_(2)Sn)_(2)L,[(Bu_(2)Sn)_(2)L]3 and H_(2)LSnBu_(2),were synthesized by microwave-assisted methanolic solvothermal method,where H4L is[_(2)-(OH)-R-ArCH=NNH]_(2)CX,and X=O,R=4-NEt_(2)...; 关键词：bis(substituted salicylaldehyde)carbohydrazide dibutyltin fluorescence properties herbicidal activity

Rare-earth Metal Dialkyl Complexes Supported by 1,3-Disubstituted Indolyl Ligand: Synthesis, Characterization and Catalytic Activity for Isoprene Polymerization被引量：1: 《Chinese Journal of Structural Chemistry》2021年第8期1055-1060,970,共7页GUO Li-Ping SONG Ren-Yuan; supported by the Natural Science Foundation of Anhui Province(No.2008085ME174);financial support from Anhui Normal University(FMS201915)。; Rare-earth metal dialkyl complexes[1-Bn-3-(DippN=CH)C_(8)H_(4)N]RE(CH_(2)SiMe_(3))2(thf)2(Dipp=2,6-iPr_(2)C_(6)H_(3),RE=Y(1)and Er(2))were prepared through the cyclometalation reactions of the N-Bn-3-imino-functionali...; 关键词：indolyl ligand rare-earth metal dialkyl complex ISOPRENE POLYMERIZATION

Theoretical Exploration about the Detonation Performance and Thermal Stability of the Nitro-substituted Derivatives of Guanine被引量：1: 《Chinese Journal of Structural Chemistry》2021年第4期409-414,405,共7页LI Bu-Tong LI Lu-Lin PENG Ju; supported by the Natural Science Foundation of Guizhou Province(Nos.QKHPTRC[2018]5778-09 and QKHJC[2020]1Y038);the Natural Science Foundation of Guizhou Education University(Nos.14BS017 and 2019ZD001)。; The nitro-substituted derivatives of guanine are designed and calculated to explore novel high energy density materials.To explore the thermal stability of title molecules,the heat of formation(HOF),bond dissociation ...; 关键词：high energy density compounds Kamlet-Jacobs equation density function theory guanine derivatives

Study on the Biological Activity of 3-Aroyl-5-substituted Thiophene Derivatives Based on the CoMFA Method被引量：4: 《Chinese Journal of Structural Chemistry》2020年第11期1978-1984,共7页FENG Hui FENG Chang-Jun CAO Jing-Pei; supported by the National Natural Science Foundation of China (21676292,21075138);special fund of State Key Laboratory of Structure Chemistry (2016028)。; A three-dimensional quantitative structure-activity relationship(3 D-QSAR) study was conducted to analyze the A1 AR density(Bmax) of 56 3-aroyl-5-substituted thiophene derivatives(ASTDs) in human A1 Chinese hamster ov...; 关键词：3-aroyl-5-substituted thiophene derivatives(ASTDs) A1AR density(Bmax) three-dimensional quantitative structure-activity relationship comparative molecular field analysis

Microwave Assistant Synthesis and Crystal Structures of Two Substituted Oxazole Isoxazole Carboxamides被引量：1: 《Chinese Journal of Structural Chemistry》2020年第10期1906-1911,1746,共7页KANG Tao LIU Cheng-Guo WU Shi-Long GAO Shuang YE Fei FU Ying; the National Natural Science Foundation of China(Nos.31801784 and 31572042);Natural Science Foundation of Heilongjiang Province(No.ZD2017002);the Research Science Foundation in Technology Innovation of Harbin(No.2017RAQXJ0172)。; Two novel substituted phenyl oxazole isoxazole carboxamides have been synthesized by microwave assistant technology.The target compounds were characterized by IR,1H NMR,13C NMR and HRMS,and their single-crystal struct...; 关键词：oxazole isoxazole carboxamides single-crystal structure synthesis bioactivity

Theoretical Study on Nitroso-Substituted Derivatives of Azetidine as Potential High Energy Density Compounds: 《Chinese Journal of Structural Chemistry》2020年第4期643-650,共8页Bu-Tong LI Lu-Lin YANG Chuan; supported by the Natural Science Foundation of Guizhou Province(Nos.QKHPTRC[2018]5778-09 and QKHJC[2020]1Y038);the Natural Science Foundation of Guizhou Education University(Nos.14BS017 and 2019ZD001).; At the B3PW91/6-311+G(d,p)//MP2/6-311+G(d,p)level,molecular densities,detonation velocities,and detonation pressures of nitroso substituted derivatives of azetidine with their thermal stabilities were investigated to ...; 关键词：high energy density compounds Kamlet-Jacobs equation azetidine derivatives

Theoretical Exploration on Structural Stabilities and Detonation Properties of Nitrimino Substituted Derivatives of Cyclopropane被引量：2: 《Chinese Journal of Structural Chemistry》2019年第5期688-694,667,共8页LIU Tao JIA Jin-Zhang LI Bu-Tong GAO Ke; supported by the National Natural Science Foundation of China(51374121); The packed density, detonation velocities, and detonation pressures of a series of cyclopropane derivatives were investigated to look for high energy density compounds. For exploring the possibility of synthesis, the ...; 关键词：high energy density compounds CYCLOPROPANE DERIVATIVES DETONATION performance ATOMIZATION reaction

Molecular Docking, 3D-QSAR and Molecular Dynamics Simulation Studies of Substituted Pyrimidines as Selective Covalent Janus Kinase 3 Inhibitors被引量：2: 《Chinese Journal of Structural Chemistry》2018年第6期839-853,共15页蔡晓力马玉卓赵钟祥张玲刘鹰翔; supported by the National Natural Science Foundation of China(No.81270054);the program for Outstanding Young Teachers in Higher Education Institutions of Guangdong Province(No.Yq2013045); Janus kinase 3（JAK3） is a member of Janus kinase（JAK） family, and it represents a promising target for the treatment of immune diseases and cancers. However, no highly selective inhibitors of JAK3 have been develo...; 关键词：JAK3 molecular docking 3D-QSAR molecular dynamics simulations binding free energy

Synthesis, Crystal Structure and Theoretical Calculation Studies on 1-(4-chloromethylbenzoyl)-3-(mono-substituted) thioureas: 《Chinese Journal of Structural Chemistry》2018年第5期693-709,共17页张玉胡伟乔磊张星宋纪蓉黄洁; supported by the Science and Technology Program of Shaanxi Province(No.2013K02-25);the Science and Technology Program of Xi’an(No.NC1404);the Science and Technology Research and Development Program of Shaanxi Province(No.14JF025); The derivatives 1-（4-chloromethylbenzoyl）-3-（4-nitrophenyl） thiourea（1） and 1-（4-chloromethylbenzoyl）-3-（benzothiazole-2-yl） thiourea（2） were synthesized and characterized by X-ray single-crystal diffracti...; 关键词：crystal structure Hirshfeld surfaces UV-VIS ESP

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