CORC

在结果中检索

CORC

浏览/检索结果: 共10条，第1-10条 帮助

限定条件    
已选(0)清除 条数/页：   排序方式：
The tunable effect of nitrogen and boron dopants on a single walled carbon nanotube support on the catalytic properties of a single gold atom catalyst: a first principles study of CO oxidation 期刊论文
ROYAL SOC CHEMISTRY, 2017, 卷号: 5, 期号: 32, 页码: 16653-16662
作者:  Ali, Sajjad;  Liu, Tianfu;  Lian, Zan;  Li, Bo;  Su, Dang Sheng
收藏  |  浏览/下载：20/0  |  提交时间：2018/01/10
Distinct effects of al3+ doping on the structure and properties of hexagonal turbostratic birnessite: a comparison with fe3+ doping 期刊论文
Geochimica et cosmochimica acta, 2017, 卷号: 208, 页码: 268-284
作者:  Yin, Hui;  Kwon, Kideok D.;  Lee, Jin-Yong;  Shen, Yi;  Zhao, Huaiyan
收藏  |  浏览/下载：124/0  |  提交时间：2019/04/23
Ab-initio study of surface segregation in aluminum alloys 期刊论文
APPLIED SURFACE SCIENCE, 2017, 卷号: 399, 页码: 351-358
Qin, Yifa; Wang, Shaoqing
收藏  |  浏览/下载：19/0  |  提交时间：2017/08/17
Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method Delta SCF Quasi-Adiabatic States 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 2, 页码: 843-851
作者:  Liu, Junzi;  Zhang, Yong;  Bao, Peng;  Yi, Yuanping
收藏  |  浏览/下载：14/0  |  提交时间：2018/01/12
Distinct effects of Al3+ doping on the structure and properties of hexagonal turbostratic birnessite: A comparison with Fe3+ doping 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2017, 卷号: 208, 页码: 268-284
作者:  Kwon, KD;  Lee, JY;  Feng, XH;  Zhang J(张静);  Shen, Y
收藏  |  浏览/下载：99/0  |  提交时间：2019/08/27
Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4281-4296
作者:  Berry, Mary T.;  May, P. Stanley;  Rasulev, Bakhtiyor;  Han, Yulun;  Meng QG(孟庆国)
收藏  |  浏览/下载：11/0  |  提交时间：2017/10/09
Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 7, 页码: 3236-3249
作者:  Xiong, XG;  Yanai, T
收藏  |  浏览/下载：16/0  |  提交时间：2018/08/30
Theoretical study of metal-doped β-GaO photocatalysts for overall water splitting. 期刊论文
Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, 卷号: Vol.136 No.7, 页码: 1-7
作者:  Qiu, Xiaowei;  Zhang, Jiaxin;  Dong, Hao;  Zhou, Xin
收藏  |  浏览/下载：3/0  |  提交时间：2019/02/27
A DFT study on lignin dissolution in imidazolium-based ionic liquids 期刊论文
RSC ADVANCES, 2017, 卷号: 7, 期号: 21, 页码: 12670-12681
作者:  Zhang, Yaqin;  He, Hongyan;  Dong, Kun;  Fan, Maohong;  Zhang, Suojiang
收藏  |  浏览/下载：12/0  |  提交时间：2017/04/17
Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4281-4296
作者:  Han, Yulun;  Rasulev, Bakhtiyor;  May, P. Stanley;  Berry, Mary T.;  Kilin, Dmitri S.
收藏  |  浏览/下载：0/0  |  提交时间：2017/10/09

©版权所有 ©2017 CSpace - Powered by CSpace