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[会议论文] 作者：Guo-JunKang[1]Hong-QuTang[2],
来源：第十三届全国量子化学会议 年份：2017
High selectively synthesis from syngas to ethanol is the important way to further improve the economic benefits in the underground coal gasification,ethanol...
[会议论文] 作者：YonghaiChai[1]LongChen[2],
来源：第二届糖合成化学青年学术研讨会 年份：2017
Stereoselective β-mannosylation has been recognized as one of the greatest challenges in carbohydrate chemistry.Herein,we described a new method for stereo...
[会议论文] 作者：DonghuiWei[1]Chang-GuoZhan[2],
来源：第十三届全国量子化学会议 年份：2017
First-principles quantum mechanical/molecular mechanical(QM/MM)-free energy calculations1-4 have been performed to uncover how uricase catalyzes metabolic r...
Predicting the structural and electronic properties of transition metal monoxides from bulk to surfa
[会议论文] 作者：Jin-JiaLiu[1]Xiao-DongWen[2],
来源：第十三届全国量子化学会议 年份：2017
We systematically investigate the structural,electronic and magnetic properties,bonding analysis,as well as surface morphology of transition metal monoxides...
[会议论文] 作者：ZhiyeZhu[1]WanzhenLiang[2],
来源：第十三届全国量子化学会议 年份：2017
The charge carrier mobilities and singlet fission(SF)dynamic process in newly synthesized three thienoquinoidal compounds(ThBF,TThBF and BThBF)are theoretic...
Theoretical Study of Oxidation of Methane to Methanol Mediated by a Bis(μ-oxo)Cu(Ⅱ)Cu(Ⅱ)Cu(Ⅲ)Tricopp
[会议论文] 作者：YanFangLiu[1]Rong-zhenLiao[2],
来源：第十三届全国量子化学会议 年份：2017
In this study,hybrid density functional theory[1] is used to study oxidation of methane to methanol mediated by the [CuⅡCuⅡ(μ-O)2CuⅢ(7-N-Etppz)]1+comple...
[会议论文] 作者：Qing-YunWang[1]Yi-HongDing[2],
来源：第十三届全国量子化学会议 年份：2017
Platinum (Pt) is a s tar catalyst that is now wide lyused in elec trode react ions.Veryrecent ly,growing experimenta levidences have shown that injection of...
[会议论文] 作者：LiDongGong[1]BenoitRoux[2],
来源：第十三届全国量子化学会议 年份：2017
Potassium channels are a broad family of membrane proteins present in almost every cell,and their rapid and highly selective conduction of potassium ions ac...
The Synthesis and Photodynamic Therapy of Acylhydrazone Schiff base Porphyrins in Breast Cancer MCF-
[会议论文] 作者：Ya-HongYao[1]JunLi[2],
来源：中国化学会第四届卟啉与酞菁学术研讨会 年份：2017
Porphyrins are being explored as potential photosensitizers for photodynamic therapy(PDT)due to their exclusive properties.These include favourable waveleng...
Calculation on Activation Energy for Decomposition of Magnesite by Congruent Dissociative Vaporizati
[会议论文] 作者：ZhenZhao[1]ZhiLi[2],
来源：第十五届全国化学动力学会议 年份：2017
The activation energy E parameters for decomposition of MgCO3 at CO2 and N2 atmosphere are calculated by the third-law method in subsequent comparison of th...
Household microwave assisted rapid synthesis of porous ZnO capsules with visible yellow light activa
[会议论文] 作者：XiaoleiWang[1]FenYu[2],
来源：2017第十五届全国光化学学术讨论会 年份：2017
In this study,two-step method including hydrothermal and microwave process was used to synthesize a novel porous ZnO nanoparticles.Surprisingly,we found thi...
[会议论文] 作者：武琪[1]孙亚明[1]高洁[1]董树清[2]赵亮[2],
来源：第21届全国色谱学术报告会 年份：2017
本文通过化学键合法制备出石墨烯量子点/二氧化硅（GQDs/SiO2）复合微球，并以这种复合材料作为HPLC固定相，在正相，反相和亲水色谱分离模式下分别对多种化合物实现了有效分离(Fig.1)......
[会议论文] 作者：Chun-FengWang[1]Qi-JieGuo[2]Jia-YeZhang[1]JunTao;,
来源：2017年中西部地区无机化学化工学术研讨会 年份：2017
A two-dimensional Hofmann-type compound displaying three-step spin crossover(SCO)and luminescence was prepared.Variable-temperature magnetic susceptibility...
[会议论文] 作者：尚帅[1]田珮[1]蒋煜[1]武婧轩[1]姜珊[1]邓泓[2],
来源：第二十一届大气污染防治技术研讨会 年份：2017
湿地是汞的重要富集场所,其还原性底质会促进气态单质汞的产生.湿地植物已进化出一系列适应淹水环境的生态特征,其中发达的通气组织可以从大气向根部输送氧气满足根系的...
[期刊论文] 作者：郑琦 1, 2, 3* 黄瑜 1, 2, 3* 袁满 1,
来源：基因组学与应用生物学 年份：2017
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[会议论文] 作者：DehongWang[1]LongZhang[2]SanzhongLuo[2],
来源：第十二届全国物理有机化学学术会议 年份：2017
A distinctive 5πe-carbonyl activation mode is reported on the basis of SET oxidation of a secondary enamine.The resulted β-enaminyl radical intermediate w...
[会议论文] 作者：BoLong[1]JunweiLucasBao[2]DonaldG.Truhlar[2],
来源：第十三届全国量子化学会议 年份：2017
Although some previous theoretical investigations of atmospheric reactions have produced rate constants in good agreement with experimental results,1,2 thes...
[会议论文] 作者：Yao-PingXie[1]Xiao-JieZhang[2]Zhi-PanLiu[2],
来源：第十三届全国量子化学会议 年份：2017
Under mild static compression(15 GPa),graphite preferentially turns into hexagonal diamond,not cubic diamond,the selectivity of which is against thermodynam...
[会议论文] 作者：FengyuLi[1]KaixiongTu[2]ZhongfangChen[2],
来源：第十三届全国量子化学会议 年份：2017
Promoted by the all-metal aromatic Al4Cu- cluster,composed of aluminum square,which is the global minimum in zero-dimensional(0D)space,we computationally de...
[会议论文] 作者：Si-JieYang[1]XuesongDing[2]Bao-HangHan[2],
来源：中国化学会第四届卟啉与酞菁学术研讨会 年份：2017
Over the past decade,interest in the field of porous organic polymers(POPs),which have strong covalent linkages,light-weight elements,tunable pore parameter...
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