ELUCIDATION

作品数：223被引量：331H指数：8
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相关机构：中国科学院福建物质结构研究所曲阜师范大学中国药科大学香港科技大学更多>>
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Elucidation of the sodium kinetics in layered P-type oxide cathodes被引量：7
《Science China Chemistry》2022年第10期2005-2014,共10页Lianzheng Yu Haojie Dong Yu-Xin Chang Zhiwei Cheng Kang Xu Yi-Hu Feng Duo Si Xu Zhu Mengting Liu Bing Xiao Peng-Fei Wang Sailong Xu 
supported by the National Natural Science Foundation of China (U1607128,52102302 and 21521005);Natural Science Foundation of Beijing (2222020);the Young Talent Support Plan and Siyuan Scholar of Xi’an Jiaotong University (DQ6J011 and DQ1J009);State Key Laboratory of Electrical Insulation and Power Equipment (EIPE23313)
Sodium-ion intercalation oxides generally possess high compositional diversity according to their different stacking sequences.The sodium diffusion pathway in layered P-type materials used in sodium-ion batteries is o...
关键词：sodium-ion batteries cathode P2 phase P3 phase KINETICS 
Pestaloamides A and B,two spiro-heterocyclic alkaloid epimers from the plant endophytic fungus Pestalotiopsis sp.HS30被引量：1
《Science China Chemistry》2020年第9期1208-1213,共6页Xiao-Zheng Su Yi-Ying Zhu Jian-Wei Tang Kun Hu Xiao-Nian Li Han-Dong Sun Yan Li Pema-Tenzin Puno 
the Second Tibetan Plateau Scientific Expedition and Research(STEP)Program(2019QZKK0502);the National Natural Science Foundation of China(81874298);the CAS“Light of West China”Program(Pema-Tenzin Puno);the Yunnan Science Fund for Distinguished Young Scholars(2019FJ002)。
Pestaloamides A and B(1 and 2),two novel alkaloids featuring an unprecedented spiro[imidazothiazoledione-alkylidenecyclopentenone]scaffold,were obtained from the cultures of an endophytic fungus Pestalotiopsis sp.HS30...
关键词：ALKALOIDS endophytic fungus structure elucidation tumor immunotherapy 
Scores of amino acid 0D-3D information as applied in cleavage site prediction and better specificity elucidation for human immunodeficiency virus type 1 protease被引量：1
《Science China Chemistry》2008年第8期794-800,共7页KANG LiFang LIANG GuiZhao SHU Mao YANG ShanBin LI ZhiLiang 
Supported by the Research on National High-tech R&D Program (the 863 program) (Grant No. 2006AA02Z312);Innovative Group Program for Graduates of Chong- qing University, Science and Innovation Fund (Grant No. 200711C1A0010260)
A new set of descriptors,namely score vectors of the zero dimension,one dimension,two dimensions and three dimensions(SZOTT),was derived from principle component analysis of a matrix of 1369 structural variables inclu...
关键词：score VECTOR of zero DIMENSION one DIMENSION two DIMENSIONS and three dimensions(SZOTT) human IMMUNODEFICIENCY virus type 1 protease(HIV PR) linear discriminant analysis(LDA) support VECTOR machine(SVM) 
Expert system for elucidation of structures of organic compounds (ESESOC)——Algorithm on stereoisomer generation被引量：1
《Science China Chemistry》2000年第5期503-515,共13页郝军峰 许禄 胡昌玉 
An algorithm for enumeration of stereoisomers due to asymmetric carbon, C=C double bond and so on has been developed. It consists of three steps. The output of stereoisomers can be represented by 2.5-dimensional conne...
关键词：stereocenter AUTOMORPHISM group para-stereocenter SUBSIDIARY vector. 
Theoretical elucidation of structure-activity relationship of flavonoid antioxidants被引量：7
《Science China Chemistry》1999年第1期106-112,共7页张红雨 
Project supported by the Doctoral Foundation of Science of Shandong Teachers University
AM1 method was emyloyed to calculate flavonoid antioxidants, and the results obtained are as follows. Firstly, flavonoid hydroxyls atortho position were more active than the hydroxyls atmeta position in scavenging oxy...
关键词：flavunoid antioxidants AM1 method structure-activity relationship theoretical elucidation 
Expert system for elucidation of structures of organic compounds——Structural generator of ESESOC-II被引量：2
《Science China Chemistry》1995年第3期296-304,共9页胡昌玉 许禄 
Project supported by the Naional Natural Science Foundaion of China.
An expert system for the elucidation of the structures of organic compounds--ESESOC-IIhas been designed. It is composed of three parts: spectroscopic data analysis, structure generator, and evaluation of the candidate...
关键词：EXPERT system STRUCTURE ELUCIDATION STRUCTURE generator. 
Automated Protein Structure Elucidation From 2D NMR
《Science China Chemistry》1993年第5期526-539,共14页徐峻 L. R. Brown 蔡文生 张懋森 
A general method for automated de novo deduction of protein structure from 2D NMR has been developed. The algorithms which extract simple spin coupling topologies from MQF-COSY, construct more complicated spin couplin...
关键词：AUTOMATED PROTEIN structure ELUCIDATION 2D NMR SPIN coupling topology. 
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