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CORC

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Unconventional Facile Way to Metallanaphthalenes from Metal Indenyl Complexes Predicted by DFT Calculations: Origin of Their Different Thermodynamics and Tuning Their Kinetics by Substituents 期刊论文
http://dx.doi.org/10.1021/om500245q, 2014
Fan, Jinglan; Wang, Xuerui; Zhu, Jun; 朱军
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Hydrogen bonding in microsolvation: photoelectron imaging and theoretical studies on Au-x(-)-(H2O)(n) and Au-x(-)-(CH3OH)(n) (x=1, 2; n=1, 2) complexes 期刊论文
http://dx.doi.org/10.1039/c3cp51851e, 2014
Wu, Xia; Tan, Kai; Tang, Zichao; Lu, Xin; 谭凯
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Identification of the Most Stable Sc2C80 Isomers: Structure, Electronic Property, and Molecular Spectra Investigations 期刊论文
2012
Wu Jingyi; Wang Taishan; Shu Chunying; Lu Xin; 吕鑫; Wang Chunru
收藏  |  浏览/下载：4/0  |  提交时间：2013/04/15
Spin-orbit coupling effect on Au-C-60 interaction: A density functional theory study 期刊论文
http://dx.doi.org/10.1016/j.chemphys.2011.06.013, 2012
Zeng, Qun; Chu, Xiang; Yang, Mingli; Wu, De-Yin; 吴德印
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Carbon arc production of heptagon-containing fullerene[68] 期刊论文
2011
Yuan-Zhi Tan; 谭元植; Rui-Ting Chen; 陈睿婷; Zhao-Jiang Liao; 廖照江; Jia Li; 李佳; Feng Zhu; 朱峰; Xin Lu; 吕鑫; Su-Yuan Xie; 谢素原; Jun Li; 李军; Rong-Bin Huang; 黄荣彬; Lan-Sun Zheng; 郑兰荪
收藏  |  浏览/下载：8/0  |  提交时间：2011/12/21
Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons 期刊论文
http://dx.doi.org/10.1021/jp2016616, 2011
Zhu, Jun; Bhandary, Sumanta; Sanyal, Biplab; Ottosson, Henrik; 朱军
收藏  |  浏览/下载：4/0  |  提交时间：2013/12/12
Isomerization mechanisms of C5H2 on the triplet and singlet potential energy surfaces 期刊论文
2010
Zhang, CJ; Zhang, LL; Cao, ZX; 曹泽星; Zhang, QE; 张乾二
收藏  |  浏览/下载：3/0  |  提交时间：2012/05/01
Product distribution of tricyclopentadiene from cycloaddition of dicyclopentadiene and cyclopentadiene: A theoretical and experimental study 期刊论文
2009
Li, Yunhua; 李云华; Zou, Ji-Jun（Tianjin Univ, Sch Chem Engn & Technol）; Zhang, Xiangwen（Tianjin Univ, Sch Chem Engn & Technol）; Wang, Li（ Tianjin Univ, Sch Chem Engn & Technol）; Mi, Zhentao（Tianjin Univ, Sch Chem Engn & Technol）
收藏  |  浏览/下载：3/0  |  提交时间：2011/04/26
Parity alternation of interstellar molecules cyanopolyynes HCnN (n=1-17) 期刊论文
2009
Qi, J. Y.; Chen, M. D.; Wu, W.; 吴玮; Zhang, Q. E.; Au, C. T.（Hong Kong Baptist Univ, Dept Chem）
收藏  |  浏览/下载：10/0  |  提交时间：2011/04/26
Density functional theory study of CnF3- (n=1-9) clusters 期刊论文
2009
Qi, J. Y.; Liang, H.; Chen, M. D.; Wu, W.; 吴玮; Zhang, Q. E.; Au, C. T.（Hong Kong Baptist Univ, Dept Chem）
收藏  |  浏览/下载：1/0  |  提交时间：2011/04/26

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