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浏览/检索结果: 共15条，第1-10条 帮助 限定条件 发表日期：2017    内容类型：期刊论文    专题：西安交通大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Theoretical Study of the Magnetic and Electric Properties of Transition Elements Doped Fe3O4 (001) Surface 期刊论文 CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2017, 卷号: 33, 期号: [db:dc_citation_issue], 页码: 923-931 作者:  Zhao Zhong-Xia;  Ren Ren;  Ren Yi-Jing;  Zhou Zhi-Li 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/02 electronic structures  magnetic property  surface energy  Fe3O4  density functional theory   Density functional theory based study of the heat of polymerization of olefins 期刊论文 BULGARIAN CHEMICAL COMMUNICATIONS, 2017, 卷号: 49, 页码: 134-138 作者:  Zhang, Q. -Z.;  Liu, J. -L.;  Yang, F.;  Hao, X. -P.;  Ke, C. -Y. 收藏  |  浏览/下载：2/0  |  提交时间：2019/11/26 B3LYP/6-31G  Heat of polymerization  Density Functional Theory (DFT)  Olefins   The electronic transport characteristics of hybridized hexagon beryllium sulfide and graphene nanoribbons 期刊论文 PHYSICS LETTERS A, 2017, 卷号: 381, 页码: 30-35 作者:  Wang, Lihua;  Ding, Bingjun;  Guo, Yong 收藏  |  浏览/下载：2/0  |  提交时间：2019/11/26 Graphene  Negative differential resistance  Hexagon beryllium sulfide  Non-equilibrium Green's function method  Density functional theory   All-Metal Aromatic Sandwich Binuclear Complexes: Electronic Structures, Aromaticity and Interactions with Hydrogen via Multicenter Bonds 期刊论文 CHEMISTRYSELECT, 2017, 卷号: 2, 页码: 6206-6211 作者:  Zhu, Haiyan;  Cao, Tingting;  Zhang, Qiyan;  Liang, Ximin;  Suo, Bingbing 收藏  |  浏览/下载：8/0  |  提交时间：2019/11/26 Hydrogen multicenter bond  Hydrogen storage  All-metal compound  Aromaticity  Density functional theory   A Spin-orbit Coupling Study on the Quinoline- and Porphyrin-based Photosensitizers 期刊论文 CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2017, 卷号: 36, 页码: 7-12 作者:  Zhou Cai-Hua;  Zhao Xiang;  Fan Guang 收藏  |  浏览/下载：9/0  |  提交时间：2019/11/26 spin-orbital coupling  photosensitizers  singlet oxygen  density functional theory   Hydrogenation Induced Carrier Mobility Polarity Reversal in Monolayer AlN 期刊论文 PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2017, 卷号: 11 作者:  Tong, Lijia;  He, Junjie;  Chen, Zheng;  Wang, Bin;  Zong, Hongxiang 收藏  |  浏览/下载：16/0  |  提交时间：2019/11/26 AlN  charge carrier mobility  monolayers  hydrogenation  density functional theory   Theoretical investigation on the dehydrogenation mechanism of CH3OH on Cu (100) surface 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 卷号: 698, 页码: 617-625 作者:  Jiang, Zhao;  Guo, Shuyi;  Fang, Tao 收藏  |  浏览/下载：4/0  |  提交时间：2019/11/26 Methanol  Cu (100) surface  Dehydrogenation  Density functional theory   Initial reaction mechanism between HO. and bisphenol-F: Conformational dependence and the role of nonbond interactions 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2017, 卷号: 117 作者:  Bian, Cheng;  Li, Yu;  Wang, Shujuan;  Jing, Xinli 收藏  |  浏览/下载：3/0  |  提交时间：2019/11/26 bisphenol-F  hydroxyl radical  reaction mechanism  conformation  density functional theory   The Effects of Negative Differential Resistance, Bipolar Spin-Filtering, and Spin-Rectifying on Step-Like Zigzag Graphene Nanoribbons Heterojunctions with Single or Double Edge-Saturated Hydrogen 期刊论文 JOURNAL OF ELECTRONIC MATERIALS, 2017, 卷号: 46, 页码: 535-543 作者:  Wang, Lihua;  Zhao, Jianguo;  Ding, Bingjun;  Guo, Yong 收藏  |  浏览/下载：2/0  |  提交时间：2019/11/26 negative differential resistance  Graphene  nonequilibrium Green's function  heterojunction  density functional theory   Effects of strain on mechanical and electronic properties of borophene 期刊论文 MATERIALS RESEARCH EXPRESS, 2017, 卷号: 4 作者:  Shao, Li;  Li, Yan;  Yuan, Qingxin;  Li, Mingyu;  Du, Yinxiao 收藏  |  浏览/下载：8/0  |  提交时间：2019/11/26 borophorene  stress-stain curves  electronic propercies  density functional theory