CORC

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CORC

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Hybrid density functional study on the mechanism for the enhanced photocatalytic properties of the ultrathin hybrid layered nanocomposite g-C3N4/BiOCl 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 435, 页码: 1351-1360
作者:  Yao, Wenzhi[1];  Zhang, Jihua[2];  Wang, Yuanxu[3];  Ren, Fengzhu[4]
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/23
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 1, 页码: 11-21
作者:  Pereira Florbela[1];  Xiao Kaixia[2];  Latino Diogo A R S[3];  Wu Chengcheng[4];  Zhang Qingyou[5]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23
Theoretical insight into the stereometric effect of bisPC(71)BM on polymer cell performance 期刊论文
SCIENCE BULLETIN, 2016, 卷号: 61, 期号: 2, 页码: 139-147
作者:  Wu, Wen-Peng[1];  Deng, Lin-Long[2];  Li, Xiang[3];  Zhao, Yi[4]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/23
Theoretical studies on the mechanism of excited-state intramolecular proton transfer in 1,8-dihydroxydibenzo[a,c]phenazine 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2016, 卷号: 135, 期号: 3
作者:  Zhang, Jinglai[1];  Li, Yuanyuan[2];  Guo, Xugeng[3]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23
A combined experimental and theoretical study on vibrational spectra of 2-acetylpyridine 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 134, 页码: 90-95
作者:  Zhai, Cuiping[1];  Cui, Fenghua[2];  Liu, Xuejun[3]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/23
Investigation and design of high efficiency carbazole-based sensitizers for solar cells: Effect of the nature and length of pi-linker 期刊论文
ORGANIC ELECTRONICS, 2015, 卷号: 22, 页码: 108-116
作者:  Li, Jieqiong[1];  Wang, Li[2];  Zhang, Qing[3];  Wu, Wenpeng[4];  He, Chaozheng[5]
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/23
A theoretical study on the mechanism and dynamics of reactions (CF3)(2)CHOCH2F/(CF3)(2)CHOCHF2 with OH radical 期刊论文
MOLECULAR PHYSICS, 2014, 卷号: 112, 期号: 22, 页码: 2987-2996
作者:  Wang, Chunzhang[1];  Wen, Jinmiao[2];  He, Hongqing[3];  Wang, Li[4]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23
A QSPR approach for the fast estimation of DFT/NBO partial atomic charges 期刊论文
8th Colloquium on Chemiometricum Mediterraneum (CCM), 2014, 卷号: 134, 页码: 158-163
作者:  Zhang, Qingyou[1];  Zheng, Fangfang[2];  Fartaria, Rui[3];  Latino, Diogo A. R. S.[4];  Qu, Xiaohui[5]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23
The mechanism and dynamic studies for the reactions of OH radical with CH3-nFnOCF2CHFCl (n=0, 1, and 2) 期刊论文
JOURNAL OF FLUORINE CHEMISTRY, 2014, 卷号: 164, 页码: 1-9
作者:  Wang, Li[1];  Wen, Jinmiao[2];  He, Hongqing[3];  Zhang, Jinglai[4]
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/23
Density functional theory study of MnYN (N=2-13) clusters 期刊论文
INDIAN JOURNAL OF PHYSICS, 2013, 卷号: 87, 期号: 11, 页码: 1061-1068
作者:  Yao, J. G.[1];  Zhao, W. J.[2];  Sun, J. B.[3]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23

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