Silsesquioxane dendrimers as catalysts:A bite-sized molecular dynamics study

Katherine J.Haxton; David J.CoIe-Hamilton; Russell E.Morris

首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Silsesquioxane dendrimers as catalysts:A bite-sized molecular dynamics study

【24h】

Silsesquioxane dendrimers as catalysts:A bite-sized molecular dynamics study

机译：倍半硅氧烷树状大分子作为催化剂：一口大小的分子动力学研究

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

A method of calculating the bite(P-M-P)angle for dendritic ligands is reported.Diphenylphosphine terminated dendritic ligands were modified with either a single rhodium or a rhodium complex[HRh(CO)2]and molecular dynamics techniques used to run simulations to determine the dynamic bite angle(beta_d)as a time averaged property.The effects of changing the composition of the dendritic branches is investigated and comparison with experimental hydroformylation data reveals that the dendrimer with the highest linear:branched ratio also has a dynamic bite angle closest to the theoretical ideal value of 120°.

机译：报道了一种计算树枝状配体咬角的方法。用单个铑或铑配合物[HRh（CO）2]修饰二苯膦封端的树枝状配体，并使用分子动力学技术进行模拟以确定动力学研究了改变树枝状支链组成的影响，并将其与实验的加氢甲酰化数据进行比较，发现具有最高线性：支化比的树枝状聚合物的动态咬合角也最接近理论值。理想值为120°。

著录项

来源
《Dalton transactions: An international journal of inorganic chemistry》 |2007年第31期|共6页
作者
Katherine J.Haxton; David J.CoIe-Hamilton; Russell E.Morris;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类无机化学;
关键词

相似文献

外文文献
中文文献
专利

1. Silsesquioxane dendrimers as catalysts:A bite-sized molecular dynamics study [J] . Katherine J.Haxton, David J.CoIe-Hamilton, Russell E.Morris Dalton transactions: An international journal of inorganic chemistry . 2007,第31期

机译：倍半硅氧烷树状大分子作为催化剂：一口大小的分子动力学研究
2. Molecular Dynamics Study of the Structure, Flexibility, and Hydrophilicity of PETIM Dendrimers: A Comparison with PAMAM Dendrimers [J] . Kanchi Subbarao, Suresh Gorle, Priyakumar U. Deva, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2015,第41期

机译：PETIM树枝状聚合物的结构，柔韧性和亲水性的分子动力学研究：与PAMAM树枝状聚合物的比较
3. Molecular Perspective Mechanism for Drug Loading on Carbon Nanotube-Dendrimer: A Coarse-Grained Molecular Dynamics Study [J] . Kavyani Sajjad, Dadvar Mitra, Modarress Hamid, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2018,第33期

机译：碳纳米管 - 树突式药物负载的分子透视机制：粗粒分子动力学研究
4. Molecular dynamics study of hydrocarbon adsorption on dendrimers and graphene oxide for water purification [C] . Ryan DeFever, Nicholas Geitner, Priyanka Bhattacharya AIChE Annual Meeting . 2014

机译：烃净化烃与石墨烯氧化物对烃净化的分子动力学研究
5. Polyamide and polyamine dendrimers: Synthesis, characterization and application as unimolecular micelles and homogeneous catalysts. [D] . Pan, Yijun. 1999

机译：聚酰胺和多胺树枝状大分子：合成，表征和作为单分子胶束和均相催化剂的应用。
6. A Comparative Study of Intramolecular Mobility of Single Siloxane and Carbosilane Dendrimers via Molecular Dynamics Simulations [O] . Andrey O. Kurbatov, Nikolay K. Balabaev, Mikhail A. Mazo, 2018

机译：通过分子动力学模拟比较单一硅氧烷和碳硅烷树状大分子的分子内迁移率
7. Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study [O] . Carlos Hernandez-Tamargo, Alexander OMalley, Ian P. Silverwood, 2019

机译：磷酸盐β催化剂中苯酚的分子行为作为酸部位存在的函数：Quasielast中性散射和分子动力学模拟研究

Silsesquioxane dendrimers as catalysts:A bite-sized molecular dynamics study

摘要

著录项

相似文献

相关主题

期刊订阅