CORC

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CORC

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Computational analysis of a high-efficiency tunnel oxide passivated contact (TOPCon) solar cell with a low-work-function electron-selective-collection layer 期刊论文
SOLAR ENERGY, 2018, 卷号: 170, 页码: 780-787
作者:  Wang, Dan;  Quan, Cheng;  Zeng, Yuheng;  Liao, Mingdun;  Tong, Hui
收藏  |  浏览/下载：120/0  |  提交时间：2018/12/04
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Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:  Wu, SG;  Jiang, MQ;  Liu, L;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
收藏  |  浏览/下载：17/0  |  提交时间：2017/10/13
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:  Wu, SG;  Jiang, MQ;  Liu, L
收藏  |  浏览/下载：109/0  |  提交时间：2019/04/08
Probing the Influence of Phosphonate Bonding Modes to Uranium(VI) on Structural Topology and Stability: A Complementary Experimental and Computational Investigation 期刊论文
INORGANIC CHEMISTRY, 2015, 卷号: 54, 期号: 8, 页码: 3864-3874
作者:  Zheng, T;  Wu QY(吴群燕);  Wu, QY;  Gao, Y;  Gui, DX
收藏  |  浏览/下载：34/0  |  提交时间：2016/04/18
Computational thermodynamic study on the complexes of Am(III) with tridentate N-donor ligands 期刊论文
NEW JOURNAL OF CHEMISTRY, 2015, 卷号: 39, 期号: 10, 页码: 7716-7729
作者:  Liang, YN;  Yang X(杨霞);  Yang, X;  Ding, SD;  Li, SJ
收藏  |  浏览/下载：21/0  |  提交时间：2016/04/18
Computational insights into the inhibition and destabilization of morin on the oligomer of full-length human islet amyloid polypeptide 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 43, 页码: 29103-29112
作者:  Wang, QQ;  Zhou, SY;  Wei, W;  Yao, XJ;  Liu, HX
收藏  |  浏览/下载：1/0  |  提交时间：2017/01/11
Assignment of aromaticity of the classic heterobenzenes by three aromatic criteria 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1046, 页码: 20-24
作者:  Hou, Bo;  Yi, Pinggui;  Wang, Zhaoxu;  Zhang, Shuqun;  Zhao, Jinhua
收藏  |  浏览/下载：43/0  |  提交时间：2014/11/25
Aphanamixoid A, a Potent Defensive Limonoid, with a New Carbon Skeleton from Aphanamixis polystachya 期刊论文
ORGANIC LETTERS, 2012, 卷号: 14, 期号: 10, 页码: 2524-2527
作者:  Cai, Jie-Yun;  Zhang, Yu;  Luo, Shi-Hong;  Chen, Duo-Zhi;  Tang, Gui-Hua
收藏  |  浏览/下载：52/0  |  提交时间：2014/04/02
Isolation, structural elucidation, and chemical transformation of interconvertible 8,12-hemiketal germacranolide sesquiterpenoids from Salvia castanea Diels f. tomentosa Stib. 期刊论文
TETRAHEDRON, 2008, 卷号: 64, 期号: 40, 页码: 9490-9494
作者:  Xu, Gang;  Peng, Li-Yan;  Hou, Ai-Jun;  Yang, Jing;  Han, Quan-Bin
收藏  |  浏览/下载：14/0  |  提交时间：2011/11/24
Structure Elucidation and Theoretical Investigation of Key Steps in the Biogenetic Pathway of Schisanartane Nortriterpenoids by Using DFT Methods 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2008, 卷号: 14, 期号: 36, 页码: 11584-11592
作者:  Xiao, Wei-Lie;  Lei, Chun;  Ren, Jie;  Liao, Tou-Gen;  Pu, Jian-Xin
收藏  |  浏览/下载：12/0  |  提交时间：2011/11/24

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