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Theoretical Studies of CuO Clusters Representing YBa sub 2 Cu sub 3 O/sub 7-X/: Investigation of Cu(III) Formation Versus Oxide Oxidation

机译：代表YBa sub 2 Cu sub 3 O / sub 7-X /的CuO团簇的理论研究：Cu（III）形成与氧化物氧化的研究

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Ab initio molecular orbital calculations on a simple CuO system (CuOH sub 2 ) sup 3+ , indicate that oxygen hole (p pi ) formation is favored over Cu(III) formation. Relation of these results to YBa sub 2 Cu sub 3 O/sub 7-x/ is discussed. 1 fig., 12 refs. (ERA citation 13:034363)

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作者
Curtiss, L. A. ; Shastri, A.;
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年度 1988
页码 1-11
总页数 11
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Superconductors; Barium Oxides; Copper Oxides; Yttrium Oxides; Doped Materials; Holes; Molecular Orbital Method; Molecular Structure; Oxygen; Valence;

机译：超导体;氧化钡;氧化铜;氧化钇;掺杂材料;孔;分子轨道法;分子结构;氧;化合价;

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专利

1. X-ray absorption edge spectroscopy and computational studies on LCuO2 species: Superoxide-Cu-II versus peroxide-Cu-III bonding [J] . Sarangi R, Aboelella N, Fujisawa K, Journal of the American Chemical Society . 2006,第25期

机译：LCuO2种类的X射线吸收边缘光谱法和计算研究：超氧化物-Cu-II与过氧化物-Cu-III键
2. Surface-oxidation studies of cube-textured, pure nickel to form NiO as a potential YBa_2Cu_3O_(7-x)-coated conductor buffer layer [J] . Z. Lockman, A. Berenov, W. Goldacker, Journal of Materials Research . 2003,第2期

机译：立方织构纯镍表面氧化研究以形成NiO作为潜在的YBa_2Cu_3O_（7-x）涂层导体缓冲层
3. Kinetic studies on promazine oxidation by Fe~(III)/Cu~(II)in acidic aqueous bromide solutions.Spectroscopic and kinetic non-additivity as evidence for the Cu~(II)-Br-Fe~(III)-type heterobimetallic complex formation [J] . Adrian Topolski, Monika Lipinska, Przemyslaw Kita Transition Metal Chemistry . 2008,第7期

机译：Fe〜（III）/ Cu〜（II）在酸性溴化水溶液中丙嗪氧化的动力学研究。光谱和动力学非加和性为Cu〜（II）-Br-Fe〜（III）型异双金属配合物的证据编队
4. Formation of YBa/sub 2/Cu/sub 3/O/sub 7-x//MgO and YBa/sub 2/Cu/sub 3/O/sub 7-x//Si thin film structure by laser pulse crystallisation and annealing [C] . Kotlyarchuk, B.K., Savchuk, . 2002

机译：通过激光脉冲结晶和退火形成YBa / sub 2 / Cu / sub 3 / O / sub 7-x // MgO和YBa / sub 2 / Cu / sub 3 / O / sub 7-x // Si薄膜结构
5. Tensile superplastic behavior of YBa(2)Cu(3)O(7-x) and YBa(2)Cu(3)O(7-x)/Ag high transition temperature superconductors. [D] . Albuquerque, Jose Maria. 1998

机译：YBa（2）Cu（3）O（7-x）和YBa（2）Cu（3）O（7-x）/ Ag高转变温度超导体的拉伸超塑性行为。
6. A Fast Route Towards Freestanding Single-Crystalline Oxide Thin Films by Using YBa2Cu3O7-x as a Sacrificial Layer [O] . Yao-Wen Chang, Ping-Chun Wu, Jhih-Bang Yi, 2020

机译：通过使用YBA2Cu3O7-X作为牺牲层通过使用YBA2Cu3O7-X自由晶体氧化物薄膜的快速路线
7. Interaction of Proline with Cu+and Cu2+Ions in the Gas PhaseGab Yong Lee*Department of Life Chemistry, Catholic University of Daegu, Gyeongsan 712‐702, Korea(Received March 3, 2009)INTRODUCTIONCopper ions are the most important transitionmetals involved in several biological processes ofliving systems, including oxidation, dioxygentransport, and charge transfer.1 The study of interactionsbetween the metal ion and amino acids hasattracted considerable attention from experimental2-6and theoretical6-11 viewpoints. Thermochemicalinformation on interactions between the metal ion and biological [O] . Gab-Yong Lee 2009

机译：脯氨酸与Cu +和Cu2 +离子的相互作用在气体阶段阶段阶段阶段，大邱天主教大学，庆州大学，韩国712-702，韩国（2009年3月3日收到）引入电机是几个涉及的最重要的过渡比赛生物过程的生物过程，包括氧化，Dioxygentransport和电荷转移.1在实验2-6和理论6-11观点的角度下，金属离子和氨基酸的相互关注的互补性研究。金属离子与生物学相互作用的热化学信息
8. Theoretical Studies of Copper Oxide Clusters: Prediction of an Electronically Driven Phase Separation in YBa sub 2 Cu sub 3 O/sub X/ [R] . Curtiss, L. A. , Brun, T. O. , Gruen, D. M. 1987

机译：氧化铜团簇的理论研究：YBa sub 2 Cu sub 3 O / sub X /中电子驱动相分离的预测

Theoretical Studies of CuO Clusters Representing YBa sub 2 Cu sub 3 O/sub 7-X/: Investigation of Cu(III) Formation Versus Oxide Oxidation

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