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Influences of π-π Stacking on Excited State Properties and Electronic Spectra of Co-aggregate Includ
[会议论文] 作者：Rongxing He,
来源：中国化学会第28届学术年会 年份：2012
The attractive features of aggregates are their new functionalities that have special properties and excellent photo-electric conversion efficiency which are not given in the individual molecules.[1]...
Franck-Condon simulation of vibrationally resolved optical spectra for magnesium porphyrin including
[会议论文] 作者：Meiyuan Guo,Rongxing He,
来源：中国化学会第28届学术年会 年份：2012
It is known that the S0→S1 absorption of the magnesium porphyrin (MgP) is weak,and the Condon approximation is often not adequate for weak transitions.So i...
[会议论文] 作者：Fengying Zhang,Rongxing He,
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
Typical sensitizers including n-type and p-type are investigated by a series of theoretical methods for exploring the influence of conjugation bridges on th...
Theoretical study of porphyrins and mental-free dyes for high performance dye-sensitized solar cells
[会议论文] 作者：Weixia Hu,Rongxing He,
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
Two kinds of sensitizers were designed by modifying the auxiliary acceptors for the potential use in dye-sensitized solar cells(DSSCs).For the porphyrins,tw...
Franck-Condon simulation of vibrationally resolved optical spectra for magnesium porphyrin including
[会议论文] 作者：Meiyuan Guo,Rongxing He,
来源：中国化学会第28届学术年会 年份：2012
It is known that the S0→S1 absorption of the magnesium porphyrin (MgP) is weak,and the Condon approximation is often not adequate for weak transitions.So it is necessary to consider the vibronic contr...
Investigation of proton-transfer reaction within base-assisted by density functional theory(DFT)Infl
[会议论文] 作者：Binfang Yuan,Rongxing He,Ming Li,
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
DFT method is used to investigate base-assisted effects on the proton-transfer reaction including the cleavage of C-H bond in the metal-catalyzed organic sy...
Theoretical simulations of vibrationally resolved optical spectra of phenanthrene and naphthalene in
[会议论文] 作者：Min Pang,Pan Yang,Rongxing He,
来源：第十二届全国量子化学会议 年份：2014
On the basis of density functional theory and its time-dependent extension,the S0→S1 absorption spectrum of phenanthrene and naphthalene were simulated using the Franck-Condon(FC)approximation includi...
[会议论文] 作者：Qianliu Yang,Huabing Li,Wei Shen,Rongxing He,
来源：第十一届全国量子化学会议 年份：2011
...
Theoretical Design of Donor-acceptor Copolymers Based on C-, Si- and Ge-bridged Thieno[3,2-b]dithiop
[会议论文] 作者：Xiaorui Liu,Wei Shen,Rongxing He,Ming Li,
来源：第十二届全国量子化学会议 年份：2014
In this works,based on the reported polymer PCPDTTTTz(Pa1)[1] which includes electron-rich cyclopenta[2,1-b:3,4-b]dithiophene(CPDT),electron-withdrawing tetrazine(Tz)and bridge thiophene(T),we replace...
[会议论文] 作者：Qianliu Yang,Huabing Li,Wei Shen,Rongxing He,
来源：第十一届全国量子化学会议 年份：2011
...
Density functional theory study of vibronic structure of the So→S1 electronic transition and simulat
[会议论文] 作者：Huabing Li,Qianliu Yang,Wei Shen,Ming Li,Rongxing He,
来源：第十一届全国量子化学会议 年份：2011
...
A novel ball-in-ball hollow oxygen-incorporating cobalt sulfide spheres as high-efficient electrocat
[期刊论文] 作者：Yurong Li,Qifei Guo,Yimin Jiang,Wei Shen,Ming Li,Rongxing He,
来源：中国化学快报（英文版） 年份：2021
Transition-metal chalcogenides with hollow nanostructure,especially cobalt sulfides,are considered as the most promising non-precious metal catalysts for oxygen...
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