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CORC

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Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017
Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Effects of molecular transport in LES/PDF of piloted turbulent dimethyl ether/air jet flames 期刊论文
COMBUSTION AND FLAME, 2017
You, Jiaping; Yang, Yue; Pope, Stephen B.
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016
Liu, Lihong; Liu, Jian; Martinez, Todd J.
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Computational Exploration of Rh-III/Rh-V and Rh-III/Rh-I Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016
Yang, Yun-Fang; Houk, K. N.; Wu, Yun-Dong
收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03
A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2015
Cheng, Gui-Juan; Chen, Ping; Sun, Tian-Yu; Zhang, Xinhao; Yu, Jin-Quan; Wu, Yun-Dong
收藏  |  浏览/下载：9/0  |  提交时间：2017/12/03
Palladium-Catalyzed Meta-Selective C-H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity 期刊论文
journal of the american chemical society, 2014
Yang, Yun-Fang; Cheng, Gui-Juan; Liu, Peng; Leow, Dasheng; Sun, Tian-Yu; Chen, Ping; Zhang, Xinhao; Yu, Jin-Quan; Wu, Yun-Dong; Houk, K. N.
收藏  |  浏览/下载：8/0  |  提交时间：2015/11/11
Advances in Developing Electromechanically Coupled Computational Methods for Piezoelectrics/Ferroelectrics at Multiscale 期刊论文
applied mechanics reviews, 2013
Fang, Daining; Li, Faxin; Liu, Bin; Zhang, Yihui; Hong, Jiawang; Guo, Xianghua
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/13
The Ehrenfest force topology: a physically intuitive approach for analyzing chemical interactions 期刊论文
physical chemistry chemical physics, 2013
Maza, Julio R.; Jenkins, Samantha; Kirk, Steven R.; Anderson, James S. M.; Ayers, Paul W.
收藏  |  浏览/下载：6/0  |  提交时间：2015/11/11
Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory 其他
2013-01-01
Lin, Lin; Shao, Sihong; Weinan, E.
收藏  |  浏览/下载：6/0  |  提交时间：2015/11/11
In situ study of binding of copper by fulvic acid: Comparison of differential absorbance data and model predictions 期刊论文
水研究, 2013
Yan, Mingquan; Dryer, Deborah; Korshin, Gregory V.; Benedetti, Marc F.
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10

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