2. 您的位置
3. 首页
4. 会议论文
5. A mechanistic study on reactivity and selectivity of Ni-NHC catalyzed hydrogenolysis of aryl ethers:

A mechanistic study on reactivity and selectivity of Ni-NHC catalyzed hydrogenolysis of aryl ethers:

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：livebody

【摘 要】

：

The activation and transformation of aromatic carbon-oxygen(CAr-O) bonds in lignin to useful chemical building blocks have great potential in chemical industry.

【作 者】

：

Liping Xu Lung Wa Chung Yun-Dong Wu 

【机 构】

：

Lab of Computational Chemistry and Drug Design,Laboratory of Chemical Genomics,Peking University She

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

下载到本地 , 更方便阅读

下载此文 赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

The activation and transformation of aromatic carbon-oxygen(CAr-O) bonds in lignin to useful chemical building blocks have great potential in chemical industry.

其他文献

Comparison of on-lattice kinetic Monte Carlo and mean field stochastic simulations in heterogeneous

As it explicitly accounts for spatial heterogeneities,correlations,and fluctuations of thesurface structure,the on-lattice kinetic Monte Carlo(kMC) is considered as a standard for the micro-kinetic mo

会议

A computational study of the origin of enantioselectivity of Pd-catalyzed asymmetric Aryl C-O bond f

Asymmetric desymmetrization is a significant and effective approach for the enantioselective synthesis of chiral compounds.

会议

Morphology of Mo2C catalyst under carburization condition and coverage dependent CO activation mecha

Molybdenum carbide(Mo2C) is a promising material for its outstanding chemical and physical properties,especially in heterogeneous catalysis.

会议

Influence of the double bond on the hydrogen abstraction reactions of methyl esters with hydrogen ra

Biodiesel primarily consists of mixtures of long-chain fatty acid methyl esters(FAMEs).The recent large amounts of utilization of biodiesel are motivating intense research efforts to achieve a compreh

会议

Direct amination of alcohols catalyzed by aluminum triflate:A DFT study

The direct catalytic amination of(biomass-derived) alcohols is an attractive transformation from the standpoint of green chemistry,because it is atom-economic and only water is generated as by-product

会议

Catalystic hydrogenation of CO2 by bipyrimidine derivatives based proton responsive Cp* complexes co

Carbon dioxide(CO2)is one of the mam reasons for global warming.The catalysts for hydrogenation of CO2 have been developed in order to convert CO2 into formate,a uscful chcmical feedstock.

会议

Hydrolysis mechanisms of ammonia-boranecatalyzed by single/double Pt atoms on graphene

Downsizing Platinum nanoparticles to single atom is highly desirable to maximizeits efficiency and relieve the pressureof storage.

会议

single/double Pt atomsNH3BH3(AB)DFT/Dmol3method

Excited-state intramolecular proton transfer to carbon atoms:nonadiabatic surface-hopping dynamics s

Excited-state intramolecular proton transfer(ESIPT) between two highly electronegative atoms for example oxygen and nitrogen has been intensively studied experimentally and computationally;however,the

会议

Bioorthogonal reactions between an unnatural amino acid azide with substituted cyclooctynes

The term click chemistry arose to describe a very efficient coupling reactions that occur through azide-alkyne cyclooaddition(AAC) [1].

会议

A DFT study of rhodium-catalyzed intermolecular [5+1] cycloaddition of 3-acyloxy-1,4-enyne(ACE)and C

The first theoretical study on the mechanism of [RhCl(CO)2]2-catalyzed [5+1] cycloadditions of 3-acyloxy-1,4-enyne(ACE) and CO has been performed using density functional theory(DFT) calculations.

会议