Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives

Briere TM.; Das TP.; Ohira S.; Nagamine K.; Jeong J.

首页> 外文期刊>Physica, B. Condensed Matter >Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives

【24h】

Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives

机译：从头开始对4-芳基亚甲基氨基-TEMPO衍生物的正介子和mu进行分子轨道研究

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The muon and muonium bonding sites of the 4-arylmethyleneamino-2,2,6,6-tetramethylpiperidin-1-yloxyl radical crystals with aryl groups consisting of biphenyl and 4-pyridyl were studied via ab initio Hartree-Fock theory. The hyperfine fields, including both intramolecular and intermolecular interactions, were calculated at the sites of interest and compared to zero field mu SR results. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 13]

著录项

来源
《Physica, B. Condensed Matter》 |2000年第0期|共4页
作者
Briere TM.; Das TP.; Ohira S.; Nagamine K.; Jeong J.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类物理学;
关键词
4-arylmethyleneamino-2; 2; 6; 6-tetramethylpiperidin-1-yloxyl radical; Tempo; Organic ferromagnet; Gaussian-type basis; Organic-molecules;

机译：4-芳基亚甲基氨基-2;2;6;6-四甲基哌啶-1-基氧基;Tempo;有机铁磁体;高斯型基础;有机分子;

相似文献

外文文献
中文文献
专利

1. Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives [J] . Briere TM., Das TP., Ohira S., Physica, B. Condensed Matter . 2000,第0期

机译：从头开始对4-芳基亚甲基氨基-TEMPO衍生物的正介子和mu进行分子轨道研究
2. Ab initio molecular orbital study of 1,3,5-triazine derivatives for phosphorescent organic light emitting devices [J] . Chu TY, Ho MH, Chen JF, Chemical Physics Letters . 2005,第1a3期

机译：1,3,5-三嗪衍生物用于磷光有机发光器件的从头算分子轨道研究
3. Ab initio molecular orbital and infrared spectroscopic study of the conformation of secondary amides: derivatives of formanilide, acetanilide and benzylamides [J] . Ilieva S., Hadjieva B. Journal of Molecular Structure . 1999,第1a3期

机译：从头进行分子酰胺轨道和红外光谱研究仲酰胺的构象：甲酰苯胺，对乙酰苯胺和苄基酰胺的衍生物
4. Ab initio Molecular Orbital Calculation of 1,3,5-Triazine Derivatives as Hosts for Phosphorescent Organic Light Emitting Devices [C] . Ta-Ya Chu, Meng-Huan Ho, Jenn-Fang Chen, IDMC'05;International Display Manufacturing Conference Exhibition . 2005

机译：1,3,5-三嗪衍生物作为磷光有机发光器件的主体的从头算分子轨道计算
5. Semi-empirical molecular orbital methods and ab initio calculations in dye chemistry: Computational studies towards the design and synthesis of organic pigments. [D] . El-Shafei, Ahmed. 2003

机译：染料化学中的半经验分子轨道方法和从头计算：针对有机颜料设计和合成的计算研究。
6. Comparative Binding Analysis of Dipeptidyl Peptidase IV (DPP-4) with Antidiabetic Drugs – An Ab Initio Fragment Molecular Orbital Study [O] . Sundaram Arulmozhiraja, Naoya Matsuo, Erika Ishitsubo, -1

机译：二肽基肽酶IV（DPP-4）与抗糖尿病药物的比较结合分析-从头算片段分子轨道研究
7. Ab Initio Fragment Molecular Orbital Study of Molecular Interactions between Liganded Retinoid X Receptor and Its Coactivator; Part II: Influence of Mutations in Transcriptional Activation Function 2 Activating Domain Core on the Molecular Interactions [O] . -1

机译：AB初始片段分子轨道轨道研究分子相互作用与其共同诱导剂;第II部分：转录激活函数2对分子相互作用激活畴内核的影响
8. Length-Dependence of Intramolecular Electron Transfer in Sigma-Bonded Rigid Molecular Rods: An ab initio Molecular Orbital Study [R] . Pati, R. , Karna, S. P. 2002

机译：西格玛键合刚性分子棒中分子内电子转移的长度依赖性：从头算分子轨道研究

Ab initio molecular orbital studies of the positive muon and muonium in 4-arylmethyleneamino-TEMPO derivatives

摘要

著录项

相似文献

相关主题

期刊订阅