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CORC

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The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set 期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 1, 页码: 10
作者:  Shang, Honghui
收藏  |  浏览/下载：21/0  |  提交时间：2021/12/01
The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad 期刊论文
Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405
作者:  Lu, Xiao-Juan;  Zhang, Cai-Rong;  Shen, Yu-Lin;  Wu, You-Zhi;  Liu, Zi-Jiang
收藏  |  浏览/下载：0/0  |  提交时间：2020/11/14
Square transition-metal carbides mc6 (m = mo, w) as stable two-dimensional dirac cone materials 期刊论文
Physical chemistry chemical physics, 2018, 卷号: 20, 期号: 2, 页码: 732-737
作者:  Liu, Peng-Fei;  Wu, Yang;  Bo, Tao;  Hou, Ling;  Xu, Juping
收藏  |  浏览/下载：38/0  |  提交时间：2019/04/23
Square transition-metal carbides MC6 (M = Mo, W) as stable two-dimensional Dirac cone materials 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 2, 页码: 732-737
作者:  Hou, L;  Bo, T;  Wu, Y;  Liu, PF;  Shi WQ(石伟群)
收藏  |  浏览/下载：14/0  |  提交时间：2019/09/24
Localization of open-shell molecular orbitals via least change from fragments to molecule 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 页码: 12
作者:  Li, Hongyang;  Liu, Wenjian;  Suo, Bingbing
收藏  |  浏览/下载：13/0  |  提交时间：2018/05/31
Localization of open-shell molecular orbitals via least change from fragments to molecule 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Li, Hongyang; Liu, Wenjian; Suo, Bingbing
收藏  |  浏览/下载：6/0  |  提交时间：2017/12/03
The nature of excited states in dipolar donor/fullerene complexes for organic solar cells: evolution with the donor stack size 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 23, 页码: 15955-15963
作者:  Shen, Xingxing;  Han, Guangchao;  Yi, Yuanping
收藏  |  浏览/下载：17/0  |  提交时间：2017/01/17
Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy 期刊论文
2016, 2016
刘源; 张凌峰; 宁传刚; Liu Yuan; Cheung Ling-Fung; Ning Chuan-Gang
收藏  |  浏览/下载：2/0
A density functional theory study on 3d metal/graphene for the removal of CO from H-2 feed gas in hydrogen fuel cells 期刊论文
rsc advances, 2015, 卷号: 5, 期号: 21, 页码: 16394-16399
作者:  Li,Kai;  Li,Yang;  Tang,Hao;  Jiao,Menggai;  Wang,Ying
收藏  |  浏览/下载：14/0  |  提交时间：2016/05/20
On the Nature of Blueshifting Hydrogen Bonds 期刊论文
http://dx.doi.org/10.1002/chem.201402189, 2014
Mo, Yirong; Wang, Changwei; Guan, Liangyu; Braida, Benoit; Hiberty, Philippe C.; Wu, Wei; 莫亦荣; 吴玮
收藏  |  浏览/下载：121/0  |  提交时间：2015/07/22

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