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Application of density functional theory on water oxidation catalysts and a combined experimental/theoretical study of carbene complexes (arene)M=C(Ph2P=NPh)2 (M = ruthenium and osmium)

机译：密度泛函理论在水氧化催化剂上的应用以及卡宾配合物（芳烃）M = C（Ph2P = NPh）2（M =钌和）的组合实验/理论研究

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作者
Yang, Xiaofan;
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作者单位

Indiana University;

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授予单位 Indiana University;
学科
学位 Ph.D.
年度 2008
页码 259 p.
总页数 259
原文格式 PDF
正文语种 eng
中图分类
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入库时间 2022-08-17 11:57:29

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1. Ruthenium(II) and osmium(II) complexes bearing bipyridine and the N-heterocyclic carbene-based C^N^C pincer ligand: An experimental and density functional theory study [J] . Chung L.-H., Cho K.-S., England J., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2013,第17期

机译：带有联吡啶和基于N-杂环卡宾的C ^ N ^ C钳位配体的钌（II）和（II）配合物：实验和密度泛函理论研究
2. UV spectroscopic studies and charge transfer properties of azobenzene-containing cyclopentadienyliron complexes of arenes: A combined experimental and density functional theoretical study [J] . Li G.L., Liu J.Q., Zhao B.D., Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 2013,第Null期

机译：芳烃含偶氮苯的环戊二烯基铁配合物的紫外光谱研究和电荷转移性质：结合实验和密度泛函理论研究
3. (eta(6)-arene)-ruthenium(II) complexes containing methanide and methandiide anions of Ph2P(=S)CH2P(=NR)Ph-2: Unprecedented insertion of isocyanide into a ruthenium-carbene bond [J] . Cadierno V, Diez J, Gareia-Alvarez J, Organometallics . 2008,第8期

机译：包含Ph2P（= S）CH2P（= NR）Ph-2的甲烷离子和二甲基吡啶阴离子的（eta（6）-芳烃）-钌（II）络合物：异氰酸酯前所未有地插入钌-卡宾键中
4. Computer Simulation of Ruthenium Complexes Molecules Density Functional Theory Study of Ruthenium Tris Chelate Complexes [C] . Wei Su, Jianguo Cui, Nana Guo, IEEE international conference on computer science and information technology . 2011

机译：钌三螯合物的分子密度泛函理论研究。
5. Theoretical studies on oxidative addition of ammonia to iridium complexes and metathesis reactions of triple bonds involving tungsten, molybdenum, carbon and nitrogen employing density functional theory [D] . Chen, Shentan 2009

机译：用密度泛函理论研究氨配合物氧化成铱和涉及钨，钼，碳和氮的三键复分解反应的理论研究
6. A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(ii)–N-heterocyclic carbene complexes [O] . Kathlyn L. Fillman, Jacob A. Przyojski, Malik H. Al-Afyouni, 2015

机译：电磁圆二色性和密度泛函理论的组合方法用于阐明三和四坐标铁（ii）-N-杂环卡宾配合物中的电子结构和键
7. Electrochemical and Spectroscopic Study of Mononuclear Ruthenium Water Oxidation Catalysts: A Combined Experimental and Theoretical Investigation [O] . de Ruiter, J. M., Purchase, R. L., Monti, A., 2016

机译：单核钌水氧化催化剂的电化学和光谱研究：组合的实验和理论研究。

Application of density functional theory on water oxidation catalysts and a combined experimental/theoretical study of carbene complexes (arene)M=C(Ph2P=NPh)2 (M = ruthenium and osmium)

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