Competition Mechanism Study of Mg+H2O and MgO+H2O Reaction

机译：Mg + H2O和MgO + H2O反应的竞争机制研究

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

Magnesium/water reaction and Magnesia/water reaction mechanism are investigated theoretically.The optimized geometries and frequencies of the stationary points of two reaction are calculated at B3LYP/6-311++G(d,p)level.The transition state and intermediate are confirmed.The potential energy surfaces of two reactions are calculated.It is shown that Magnesia will react with water firstly.

机译：理论上研究了镁/水反应和氧化镁/水反应机理。在B3LYP / 6-311 ++ G（D，P）水平下计算两种反应的固定点的优化几何形状和频率。过渡状态和中间体确认。计算两种反应的潜在能量表面。显示氧化镁将首先与水反应。

著录项

来源
《International Conference on Advanced Composite Materials and Manufacturing Engineering》|2018年|716 p.|共5页
会议地点
作者
YongKang Chen; Zhentao An; Minghua Chen;
展开▼
作者单位

展开▼
会议组织
原文格式 PDF
正文语种
中图分类工程材料学;
关键词

相似文献

外文文献
中文文献
专利

1. Competition between [2+1]- and [4+1]-cycloaddition mechanisms in reactions of conjugated nitroalkenes with dichlorocarbene in the light of a DFT computational study [J] . Alnajjar Radwan A., Jasinski Radomir Journal of molecular modeling . 2019,第6期

机译：[2 + 1] - 和[4 + 1] -cycloaddition机制与DFFT计算研究中与二氯甲酸的共轭硝基烷烃反应的竞争
2. A theoretical study on intermolecular [2+2] radical cation cycloaddition reactions and the competition between concerted and stepwise mechanisms [J] . Li Yajie, Guo Chenchen, Chen Bo-Zhen Computational & theoretical chemistry . 2016,第Null期

机译：分子间[2 + 2]自由基阳离子环加成反应及协同机理与逐步机理竞争的理论研究
3. Intramolecular Anodic Olefin Coupling Reactions: Using Competition Studies to Probe the Mechanism of Oxidative Cyclization Reactions [J] . Xu HC, Moeller KD Organic letters . 2010,第8期

机译：分子内阳极烯烃偶联反应：使用竞争研究探索氧化环化反应的机理
4. Competition Mechanism Study of Mg+H2O and MgO+H2O Reaction [C] . YongKang Chen, Zhentao An, Minghua Chen International Conference on Advanced Composite Materials and Manufacturing Engineering . 2018

机译：Mg + H2O和MgO + H2O反应的竞争机制研究
5. Computational studies of the reaction mechanisms and stereochemistry of metal -mediated organic reactions [D] . Chung, Lung Wa 2006

机译：金属介导的有机反应的反应机理和立体化学的计算研究
6. Intramolecular Anodic Olefin Coupling Reactions: Using Competition Studies to Probe the Mechanism of Oxidative Cyclization Reactions [O] . Hai-Chao Xu, Kevin D. Moeller -1

机译：分子内阳极烯烃偶联反应：使用竞争性研究以探讨氧化环化反应的机理
7. Intramolecular Anodic Olefin Coupling Reactions: Using Competition Studies to Probe the Mechanism of Oxidative Cyclization Reactions [O] . Hai-Chao Xu, Kevin D. Moeller 2010

机译：分子内阳极烯烃偶联反应：使用竞争研究来探讨氧化环化反应的机制

Competition Mechanism Study of Mg+H2O and MgO+H2O Reaction

摘要

著录项

相似文献

相关主题

期刊订阅