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CORC

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Valence bond calculations on the transition state for the E2 reaction of fluoride ion with ethyl fluoride - Implications for the More O‘Ferrall-Jencks diagram 期刊论文
http://dx.doi.org/10.1139/V05-161, 2005
Wu, W; Shaik, S; Saunders, WH
收藏  |  浏览/下载：3/0  |  提交时间：2013/12/12
Linear regression correction to first principle theoretical calculations - improved descriptors and enlarged training set 期刊论文
Chemical physics letters, 2005, 卷号: 409, 期号: 4-6, 页码: 315-321
作者:  Duan, XM;  Li, ZH;  Hu, HR;  Song, GL;  Wang, WN
收藏  |  浏览/下载：19/0  |  提交时间：2019/05/09
First-principles investigation of Mg segregation at Sigma=11(113) grain boundaries in Al 期刊论文
Journal of Physics-Condensed Matter, 2005, 卷号: 17, 期号: 27, 页码: 4301-4308
X. G. Liu; X. W. Wang; J. Y. Wang; H. Y. Zhang
收藏  |  浏览/下载：6/0  |  提交时间：2012/04/14
Density functional theory investigation on structural properties of MgS crystal 期刊论文
Acta Physica Sinica, 2005, 卷号: 54, 期号: 11, 页码: 5301-5307
Z. J. Chen; H. Y. Xiao; X. T. Zu
收藏  |  浏览/下载：2/0  |  提交时间：2012/04/14
First-principles investigation of Mg segregation at Sigma=11(113) grain boundaries in Al 期刊论文
Journal of Physics-Condensed Matter, 2005, 卷号: 17, 期号: 27, 页码: 4301-4308
X. G. Liu; X. W. Wang; J. Y. Wang; H. Y. Zhang
收藏  |  浏览/下载：9/0  |  提交时间：2012/05/17
First-principle study of geometries, electronic structures and vibrational spectra of neutral and anionic onion-like [As@Ni(12)AS(20)] 期刊论文
CHINESE PHYSICS, 2005, 卷号: 14, 期号: 10, 页码: 1974
Liu, HT; Li, JM
收藏  |  浏览/下载：4/0  |  提交时间：2013/09/17
Valence electronic structure and cohesive property of a binary noble metal nitride 期刊论文
CHINESE SCIENCE BULLETIN, 2005, 卷号: 50, 期号: 11, 页码: 1079
Fan, CZ; Sun, LL; Zhang, J; Jia, YZ; Zhang, LY; Wei, ZJ; Ma, MZ; Liu, RP; Zeng, SY; Wang, WK
收藏  |  浏览/下载：7/0  |  提交时间：2013/09/23
Clarification of the mechanism of the cascade reactions between amino-substituted heterocycles and 1,3,5-triazines 期刊论文
journal of organic chemistry, 2005
Yu, ZX; Dang, Q; Wu, YD
收藏  |  浏览/下载：1/0  |  提交时间：2015/11/12
Structure and formation of H2Ti3O7 nanotubes in an alkali environment 期刊论文
physical review b, 2005
Zhang, S; Chen, Q; Peng, LM
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/16
The effective mass issues in light nitride silicon oxide 期刊论文
semiconductor science and technology, 2005
Mao, LF; Wang, ZO; Wang, JY; Yang, GY
收藏  |  浏览/下载：2/0  |  提交时间：2015/11/16

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