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《分子科学学报》: 作品数：2199被引量：4679H指数：18; 导出分析报告; 主办单位：中国化学会; 最新期次：2024年6期更多>>; 发文主题：密度泛函理论晶体结构配合物量子化学反应机理更多>>; 发文领域：理学文化科学化学工程生物学更多>>; 发文作者：翟玉春王荣顺李前树周百斌苏忠民更多>>; 发文机构：东北师范大学吉林大学中国科学院东北大学更多>>; 发文基金：国家自然科学基金黑龙江省自然科学基金吉林省科技发展计划基金国家重点基础研究发展计划更多>>

Theoretical mechanism and research progress of thermally activated delayed fluorescence and room temperature phosphorescence molecules: 《分子科学学报》2024年第6期471-487,共17页ZHAO Xin SONG Yuzhi LIN Lili WANG Chuankui FAN Jianzhong; supported by the National Natural Science Foundation of China(12274266,12374269,12104248 and 12474258);supporting of the Open Fund of the State Key Laboratory of Luminescent Materials and Devices(South China University of Technology)and Taishan Scholar Project of Shandong Province.; Thermally activated delayed fluorescence(TADF)and room temperature phosphorescence(RTP)molecules hold promising application prospects in the field of organic light emitting diodes(OLEDs),primarily attributed to their ...; 关键词：thermally activated delayed fluorescence room temperature phosphorescence excited state property TVCF method QM/MM method

Cycloaddition reactions of vinylcarbenes derived from vinyl diazoacetates and vinyl N-sulfonylhydrazones: 《分子科学学报》2024年第6期488-515,共28页WANG Nan WANG Yeming SWASTIK Karmakar BI Xihe; supported by the Research and Development Fund Project of Jilin Engineering Normal University(2024hx58kj);Science&Technology and Biotechnology Department,Govt.of West Bengal,India(1856(Sanc.)/ST/P/S&T/15G-6/2019).; Vinylcarbenes are abundant and attractive feedstock molecules for organic synthesis.Many methods for their cycloaddition reaction require precious catalysts,while recent years have seen a vast in-crease in the number ...; 关键词：CYCLOADDITION metal vinylcarbene vinyl diazoacetate vinyl N-sulfonylhydrazone

Diverse transformations from p-quinols for the synthesis of arenes and fused cyclic compounds: 《分子科学学报》2024年第6期516-527,共12页ZHI Junsheng ZHENG Baihui REN Baoping HISASHI Shimakoshi LI Yifei LIU Qun PAN Xiumei PAN Ling; supported by the Department of Science and Technology of Jilin Province(20220402046GH,20220101066JC).; Para-quinols(p-quinols)are a kind of cyclohexa-2,5-dienones,and are widely used as active synthons in organic synthesis,medicinal chemistry and materials science.Herein,the efficient synthesis of poly-substituted aren...; 关键词：quinols synthesis ARENES fused cycle AROMATIZATION ADDITION

Advances in the treatment of fundus neovascularization: 《分子科学学报》2024年第6期528-539,共12页SHEN Yaobang XU Guoyangg FENG Jiaqi LI Xiangdan ZHANG Aiqing WANG Lei; supported by the National Natural Science Foundation of China(52325311).; Fundus neovascularization(FNV),as a hallmark pathology in the late stages of progression of various fundus diseases from diabetic retinopathy(DR)to age-related macular degeneration(AMD),en-compasses a wide range of ag...; 关键词：fundus neovascularization(FNV) ANGIOGENESIS vascular endothelial growth factor(VEGF) drug delivery system NANOMEDICINE

Preparation and electrochemical energy storage properties study of NiCo_(2)S_(4) electrode materials: 《分子科学学报》2024年第6期540-545,共6页KANG Haojie SHEN Hanjiang LIU Yun LI Gefei MA Xinyang ZHANG Hongju ZHANG Li; supported by Department of Education of Jilin Province and Technology Research Projects(JJKH20220183KJ);Jilin Engineering Normal University PhD Startup Foundation(BSKJ201841);Jilin Engineering Normal University Undergraduate Innovation Training Program Project(202410204027,202410204057).; In this work,porous hollow spherical NiCo_(2)S_(4) nanomaterials composed of loosely porous nanowires on the surface were prepared using nickel foam as the substrate through a secondary hydrother-mal reaction method.T...; 关键词：SUPERCAPACITOR NiCo_(2)S_(4) electrode material hydrothermal method

Comparison and analysis of fecal components in Blaptica dubia and Blatta lateralis: 《分子科学学报》2024年第6期546-551,共6页ZHOU Jie LIU Xuwen YE Dongyan LI Qianhui YIN Shuren ZHANG Suyi ZHOU Zhihan WANG Jing LIU Lijuan BAI Helong; funded by the Natural Science Foundation of Jilin Province(20220402050GH,JJKH20220826KJ);the Natural Science Foundation of Changchun Normal University(2020012).; The fecal components of Blaptica dubia and Blatta lateralis were analyzed and characterized using solid-phase microextraction-gas chromatography-mass spectrometry(SPME-GC-MS)to explore can-didate compounds mediating t...; 关键词：Blaptica dubia Blatta lateralis fecal component SPME-GC-MS aggregation pheromone

Free energy calculation of titin Ig81 from SMD simulations using Jarzynski's equality: 《分子科学学报》2024年第6期552-558,共7页HU Xin; supported by Natural Science Foundation of Shandong Province(ZR2021QD126)。; The crystal structure of Ig81 domain confirms that the domain folds into a compactβ-sandwich,but with an evanescent BC-loop at the N-terminus.It is not clear whether the divergent BC-loop has an effect on the stabili...; 关键词：Ig81 domain steered molecular dynamics Jarzynski's equality free energy

Transition metal-doped high-nuclear polyoxovanadates constructed from tetragonal building blocks: 《分子科学学报》2024年第5期456-461,共6页WU Shuangxue LIU Mingshuo KUAI Naibin QIN Chao WANG Xinlong SU Zhongmin; financially supported by National Natural Science Foundation of China(22371032 and 22271023); The design and synthesis of high-nuclear polyoxometalates(POMs)utilizing secondary building blocks(SBB)is attractive and challenging.Herein,four new high-nuclear polyoxovanadates(POVs),{V_(20)S_(2)In_(42)P_(12)(CO_(2)...; 关键词：POLYOXOMETALATE POLYOXOVANADATE secondary building block catalysis sulfide oxidation

Polyoxometalate-based single-atom catalysts for benzyl alcohol photooxidation: 《分子科学学报》2024年第5期448-455,共8页REN Jing LIU Yu ZHAO Qiuqing YAO Shuang ZHANG Zhiming; supported by National Natural Science Foundation of China(22071180); Benzaldehyde(BnCHO)is a key component in dye production and a fundamental substance in the fine chemical sector,especially for making medicines and flavorings.Under ambient conditions,the synthesis of BnCHO through th...; 关键词：single-atom catalyst POLYOXOMETALATE PHOTOOXIDATION benzyl alcohol

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