云南高校图书馆联盟文献共享服务平台- HOMO

HOMO: 作品数：225被引量：349H指数：8; 导出分析报告; 相关领域：理学更多>>; 相关作者：崔建国黄燕敏林启福甘春芳周爱民更多>>; 相关机构：广西师范学院吉林大学中国科学院重庆大学更多>>; 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>>

基于团簇MMoS_(4)(M=Ni,Co,Fe)催化析氢的密度泛函理论研究: 《材料科学与工艺》2025年第2期67-74,共8页宋嘉方志刚王智瑶宋静丽刘立娥吴庭慧; 国家自然科学基金重点项目(51634004);国家级大学生创新创业训练计划项目(202210146008,202210146011)。; 为探究团簇MMoS_(4)内部的催化析氢机理及性能,本研究以密度泛函理论为基础,在B3LYP/def2tzvp水平下运用Gaussian09软件分别在1、2、3、4重态下对团簇MMoS_(4)的初始构型进行优化计算,得到8种稳定构型,其中的5种稳定构型在吸附氢原子后...; 关键词：析氢密度泛函理论能级差 HOMO、LUMO图前线轨道理论

数字人文的未来20年: 《信息与管理研究》2024年第6期1-11,共11页刘炜嵇婷; 我们正在迈入一个技术能力以指数级速度发展的时代,预计在未来二十年,“奇点”将会到来。大模型技术为“奇点”的到来创造了可能的路径。随着人类进入“数技人(Homo Technicus)”时代,人类与技术深度融合、共生发展,传统“以人为中心”...; 关键词：数字人文新人文人工智能大模型奇点数技人(Homo technicus) AI4DH

Enantioselective iridium-catalyzed allylic substitution with a Reformatsky reagent: direct construction of β-stereogenic homoallylic esters: 《Science China Chemistry》2024年第11期3791-3797,共7页Debasis Pal Kirana DVeeranna Yuk Fai Wong PAndrew Evans; the National Sciences and Engineering Research Council (NSERC) for a Discovery Grant;supporting a Tier 1 Canada Research Chair (P.A.E);the Huxiang High-Level Talent Gathering Project from the Science and Technology Department of Hunan Province (Grant No. 2020RC5001)。; The Reformatsky reagent derived from ethyl bromoacetate circumvents the challenge associated with the direct regio-and enantioselective iridium-catalyzed allylic alkylation with an unstabilized aliphatic ester enolate...; 关键词：allylic substitution asymmetric catalysis mechanistic studies natural product synthesis Reformatsky reagent

煤分子结构中不同气体的吸附—扩散微观机理研究: 《能源与环保》2024年第11期42-48,共7页上官科峰万成完颜晓亮刘宗林; 中国华能科技研发项目(HNKJ21-H56-11)。; 为探究CO_(2)/CH_(4)/N_(2)气体在煤大分子结构中吸附—扩散效应的差异性和微观机理,基于鄂尔多斯上湾煤矿褐煤大分子结构模型,采用密度泛函理论方法(DFT)、蒙特卡洛方法(GCMC)和分子动力学方法(MD)对煤分子模型的静电势分布特征、最高...; 关键词：静电势分布 HOMO/LUMO轨道能级煤大分子模型孔隙结构吸附—扩散

Effect of phosphatase and tensin homolog-induced putative kinase 1/E3 ubiquitin ligase Parkin mediated mitochondrial autophagy on chronic kidney disease myocardial injury and the intervention mechanism of Shenshuai recipe(肾衰方): 《Journal of Traditional Chinese Medicine》2024年第5期934-943,共10页ZHANG Gedi LIU Gengxin GUO Min LUO Fuli YAN Ziyou GE Wei; the National Natural Science Foundation of China:the Effect of Phosphatase and Tensin Homolog-induced Putative Kinase 1/Parkin Mediated Mitochondrial Autophagy on Myocardial Injury in Chronic Kidney Disease and the Intervention Mechanism of Shenshuai Recipe(No.81960843);Training Plan for Young and Middle-aged Key Talents Project of Traditional Chinese Medicine of Jiangxi Province(No.[2022]7)。; OBJECTIVE:To study whether Shenshuai recipe(肾衰方,SSR)can play a protective role on chronic kidney disease myocardial injury model through phosphatase and tensin homolog-induced putative kinase 1(PINK1)/E3 ubiquitin ...; 关键词：renal insufficiency chronic PTEN phosphohydrolase ubiquitin-protein ligases myocardial injury mitochondrial autophagy Shenshuai recipe

Rational engineering of homospermidine synthase for enhanced catalytic efficiency toward spermidine synthesis: 《Synthetic and Systems Biotechnology》2024年第3期549-557,共9页Wenjing Liu Xiaoxiang Hu Yi Yan Yujie Cai; Spermidine is a naturally occurring polyamine widely utilized in the prevention and treatment of various diseases.Current spermidine biosynthetic methods have problems such as low efficiency and complex multi-enzyme c...; 关键词：Homospermidine synthase POLYAMINE Site-directed mutagenesis SPERMIDINE Structural analysis

Tracing the Origin and Migration of Humans-Significant Progress in Paleoanthropological and Paleolithic Fields Made by IVPP: 《Bulletin of the Chinese Academy of Sciences》2024年第3期190-196,共7页PING Wanjing FU Qiaomei YANG Ziyi ZHANG Xiaoling XING Song; supported by the National Natural Science Foundation of China(41925009);the Chinese Academy of Sciences(CAS)(YSBR-019);the National Social Science Foundation of China(Grant No.23&ZD268);the National Natural Science Foundation of China(Grant No.42072033).; Over the past 15 years,the Paleoanthropological and Paleolithic team from the Institute of Vertebrate Paleontology and Paleoanthropology(IVPP),Chinese Academy of Sciences,has made significant progress in understanding...; 关键词：Modern human origins Archaic Homo Denisovan Ancient DNA Lithic tools

利用计算化学方法从HOMO轨道能量判断路易斯碱的强弱被引量：1: 《化学教育（中英文）》2024年第14期29-35,共7页陈欣宇李子昊董立坤蒋燮阳张书宇; 上海交通大学教学发展基金(CTLD 22J0077)。; 以经典路易斯酸碱性比较问题为切入点,以羰基化合物为实例,从原理上探讨了一种通过计算分子HOMO轨道能量判断路易斯酸碱性的方法,帮助学生比较和分析路易斯碱的相对碱性大小,并对学生表现进行了有效评估。旨在通过此过程引导本科生借助...; 关键词：有机化学羰基化合物计算化学相对碱性 HOMO轨道的能量

Hepatoprotective effects of Xiaoyao San formula on hepatic steatosis and inflammation via regulating the sex hormones metabolism被引量：3: 《World Journal of Hepatology》2024年第7期1051-1066,共16页Xiao-Li Mei Shu-Yi Wu Si-Lan Wu Xiao-Lin Luo Si-Xing Huang Rui Liu Zhe Qiang; Supported by Chongqing Fundamental Research Funds,No.jbky20210001;Key Programs of Technological Innovation and Application Development of Chongqing,China,No.cstc2021jscx-dxwtBX0016;Natural Science Foundation of Chongqing,No.cstc2021jcyjmsxmX0793;Science and Technology Project in Social Livelihood of Bishan District,Chongqing,China,No.BSKJ0078 and No.BSKJ0075;Performance Incentive-oriented Project of Chongqing,No.jxjl20220007。; BACKGROUND The modified Xiaoyao San(MXS)formula is an adjuvant drug recommended by the National Health Commission of China for the treatment of liver cancer,which has the effect of preventing postoperative recurrence ...; 关键词：Hepatic steatosis INFLAMMATION Sex hormone metabolism Male hormone Phosphatase and tensin homolog deleted on chromosome ten

Concurrent hetero-/homo-geneous electrocatalysts to bi-phasically mediate sulfur species for lithium-sulfur batteries: 《Journal of Energy Chemistry》2024年第6期663-668,I0016,共7页Rui-Bo LingHu Jin-Xiu Chen Jin-Hao Zhang Bo-Quan Li Qing-Shan Fu Gulnur Kalimuldina Geng-Zhi Sun Yunhu Han Long Kong; supported by the National Natural Science Foundation of China(22379121);Shenzhen Foundation Research Program(JCYJ20220530112812028);Fundamental Research Funds for the Central Universities(G2022KY0606);Zhejiang Province Key Laboratory of Flexible Electronics Open Fund(2023FE005)。; Expediting redox kinetics of sulfur species on conductive scaffolds with limited charge accessible surface is considered as an imperative approach to realize energy-dense and power-intensive lithium-sulfur(Li-S)batter...; 关键词：Lithium-sulfur batteries Electrocatalysis Lithium polysulfides Sulfur cathode Energy density

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