financial supported by the National Natural Science Foundation of China (22078065);Key Program of Qingyuan Innovation Laboratory (00221001);Quanzhou City Science & Technology Program of China (2020C008R)。
Catalytic epoxidation of alkenes is an important type of organic reaction in chemical industry,and the deep insight into catalyst deactivation will help to develop new epoxidation process.In this work,series of quater...
the financial support provided by the National Science and Technology Major Project of the Ministry of Science and Technology of China(2016ZX05012002-005);National Natural Science Foundation of China(No.51874333);Natural Science Foundation of Shandong Province,China(No.ZR2017MEE030)
Hydrodesulfurization(HDS)reaction can significantly reduce the viscosity and sulfur content of heavy oil,while the HDS reaction mechanism of tetrahydrothiophene as the main sulfide in heavy oil is still unclear.The HD...
the financial support from the National Natural Science Foundation of China(Nos.21672001,51961135104);the technical support of high-performance computing platform of Anhui University。
The recent Ir/Pd co-catalyzed photo carboxylation of aromatic halides with CO_(2) has shown high efficiency and excellent functional group tolerance for preparing aromatic carboxylic acids and esters.With the aid of d...
Introduction of polar comonomers into polyethylene is highly challenging,paving the way to tuning the copolymers'mechanical properties,adhesion/compatibility,and biodegradability.Polar-group tolerant single-site palla...
supported by the National Natural Science Foundation of China (No. 21472068);Financial support from MOE & SAFEA for the 111 Project (No. B13025)is also gratefully acknowledged
This paper reports a computational study elucidating reaction mechanism for amide bond formation from esters and amines catalyzed by acetic acid. Two optional mechanisms(namely, classic stepwise and concerted acyl su...
This is a validation article. The experimental results such as the relative catalytic activities of Fe, Co, Ni, Cu, Ag and SiO2 poisoning in the carbothermic reduction iron oxide show that the Electron Cyclic Donate-A...
supported by the National Natural Science Foundation of China (21473100, 21403123);the Project of Shandong Province Higher Educational Science and Technology Program (J14LC17);the Opening Foundation of Shandong Provincial Key Laboratory of Detection Technology for Tumor Makers (KLDTTM2015-9);the Doctoral Start-Up Scientific Research Foundation of Qufu Normal University (BSQD2012018)
Transition-metal-catalyzed C–H activation represents one of most attractive research fields in modern organic chemistry while theoretical studies have become a popular and effective tool for elucidating mechanism now...
The gas phase hydration of glyoxal (HCOCHO) in the presence of sulfuric acid (H2SO4) were studied by the high-level quantum chemical calculations with M06-2X and CCSD(T) theoretical methods and the conventional ...
supported by the Major State Basic Research Development Program (2009CB421605);National Natural Science Foundation of China (20977009);National Water Pollution and Management Technology Project of China (2009ZX07209-008)
Due to the different sources of charcoals, there are significant differences in their properties. In order to study the catalytic effect of different charcoals to nitrobenzene (NB), we selected nine charcoal-sources t...
Supported by the NNSFC (20674034);Natural Science Youth Foundation of Jiangxi Province (No. 2010GQH0028)
Based on DFT calculations, the catalytic mechanism of palladium(0) atom, commonly considered as the catalytic center for Sonogashira cross-coupling reactions, has been analyzed in this study. In the cross-coupling r...