搜索筛选:
搜索耗时4.1446秒,为你在为你在102,285,761篇论文里面共找到 13 篇相符的论文内容
发布年度:
[会议论文] 作者：Qing-Jiang Pan,
来源：第十一届全国量子化学会议 年份：2011
...
Engineering of Actinide Complexes of Nitrogen-Coordinating Ligand Combined Relativistic DFT and Expe
[会议论文] 作者：Qing-Jiang Pan,
来源：International Conference on Theoretical and High Performance 年份：2013
Because of their complicated electronic structures, significant relativistic effects, high coordination number and diverse structures, actinide complexes ha...
Photophysical properties and redox potentials of tetrapyrrolic Ru(Ⅱ) complexes with carboxylic group
[会议论文] 作者：Ming-Jing Zhang,Qing-Jiang Pan,
来源：第十二届全国计算(机)化学学术会议 年份：2013
The Ru (Ⅱ) complexes, [Ru(Pc-(COOH)n)(NCS)2]2-(labeled as Pc-n) and [Ru(Por-(COOH)n)(NCS)2]-(Por-n) (n =0-4), are theoretically studied on their photophysi...
Theoretical probe of low-valent uranium and transuranium complexes of a flexible small-cavity macroc
[会议论文] 作者：Zhe Bao,Qing-Jiang Pan,
来源：2016年理论与高性能计算化学国际会议(International Conference on Theoretical 年份：2016
The flexible small-cavity macrocycle,trans-calix[2]benzene[2]pyrrolide(H2L),has been found experimentally to complexate low-valent UⅢ and UⅣ with binding...
Heterobimetallic uranium-nickel/palladium/platinum complexes of phosphinoaryl oxide ligands:a theore
[会议论文] 作者：Yan-Ting Bi,Qing-Jiang Pan,
来源：NCEC2019第十届全国环境化学大会 年份：2019
Heterobimetallic uranium-transition metal(U-TM)complexes have abundant active centers(two metals and several ancillary ligands with various donor atoms)and possible metal-metal bonding interaction,lea...
Theoretical investigation of U(Ⅰ)arene complexes:is the elusive monovalent oxidation state accessibl
[会议论文] 作者：Jia-Nan Tian,Qing-Jiang Pan,
来源：NCEC2019第十届全国环境化学大会 年份：2019
Commonly accepted uranium oxidation states in molecular complexes are+Ⅲ to+Ⅵ.Recently,this has been extended experimentally by the synthesis of seminal U(Ⅱ)complexes,Y·[U(Cp)3] and Y·[URE](Y = K+(2.2....
Structural, Electronic and Spectroscopic Properties of bis-imido Uranium Iodides: An Implication for
[会议论文] 作者：Chun-Mei Lv,Qing-Jiang Pan,Yuan-Ru Guo,
来源：第十二届全国量子化学会议 年份：2014
To provide an insight into chirality of inorganic complexes,cis-bis(imido)uranium iodides,cis-U(NPh)2(THF)3I2(3Ph1 and 3Ph2)and cis-U(NPh)2(THF)2I2(2Ph1 and 2Ph2)have been examined using density funct...
[会议论文] 作者：Ming-Jing Zhang,Qing-Jiang Pan,Yuan-Ru Guo,
来源：第十二届全国量子化学会议 年份：2014
The Ru(II)sensitizers,[((HOOC)n-(Pc))Ru(NCS)2]2-(labeled as Pc-n; n = 0-4,Pc = phthalocyanine)and [((HOOC)n-(TBPor))Ru(NCS)2]2-(Por-n; n = 0-4,TBPor = tetrabenzoporphyrin),for solar cells have been st...
Structural, electronic and energetic properties of a series of mono- and bisuranyl dihalides equator
[会议论文] 作者：Yong-Ming Wang,Qing-Jiang Pan,Yuan-Ru Guo,
来源：第十二届全国量子化学会议 年份：2014
Monometallic(UO2)(X)2(L)3(L = pyridine(py),X = F(1),Cl(2),Br(3)and I(4); L = tetrahydrofuran(thf),X = Cl(5); L = pyrrole(pl),X = Cl(6))as well as bimetallic [(UO2)(μ2-X)(X)(L)2]2(L = py,X = F(7),Cl(8)...
Infrared vibrational spectra, electronic structures and formation reactions of polypyrrolic mono- an
[会议论文] 作者：Xiu-Jun Zheng,Ning Qu,Qing-Jiang Pan,
来源：第十三届全国量子化学会议 年份：2017
The development of synthetic techniques has enabled synthesis and characterization of a series of mono and bis-uranyl complexes of octadentate polypyrrolic macrocycles,which is complemented by theoret...
Theoretical studies on Redox Potentials of the classic equatorial coordination AnⅥ/AnⅤ complexes for
[会议论文] 作者：Yu-Xi Zhong,Qing-Jiang Pan,Yuan-Ru Guo,
来源：第十二届全国量子化学会议 年份：2014
The structures and property of {AnO2(H2O)5}2+/{AnO2(H2O)5}+ for An = U,Np,Pu have been calculated using density function theory.[1] [2] On the basis of these work,we explored other AnVI/AnV complexes...
Geometry Structures, Metal-metal Bond and Electronic Spectra of Ferromagnetic Dimeric Rutheinium Por
[会议论文] 作者：Jin-Yu Lv,Ming-Jing Zhang,Qing-Jiang Pan,Yuan-Ru Guo,
来源：第十二届全国量子化学会议 年份：2014
Dimeric(RuPz)2 complex,modeling experimentally known dimers of(RuPor)2 and(RuPc)2,as well as its monomeric RuPz have been investigated using density functional theory[1].Pz,Por and Pc denote porphyraz...
Fabrication of mesoporous SiO2@SLS composite to remove organic pollutants:hydrogen bond-induced intr
[会议论文] 作者：Ran-Jun Meng,Yong-Yan Pan,You-Zhen Zhou,Yuan-Ru Guo,Qing-Jiang Pan,
来源：NCEC2019第十届全国环境化学大会 年份：2019
We fabricated SiO2@SLS mesoporous adsorbent using a facile solution coating method by one step.SLS coating SiO2 enables the former to be Bseparated fromwater,accomplishing the soluble to insoluble con...
相关搜索：
