机构

• 近代物理研究所 [17]
• 化学研究所 [2]

采集方式

• OAI收割 [19]

内容类型

• 期刊论文 [19]

发表日期

• 2019 [2]
• 2017 [3]
• 2016 [1]
• 2015 [1]
• 2014 [2]
• 2012 [2]
• 更多

学科主题

筛选

浏览/检索结果: 共19条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 All-Metal Aromatic Sandwich Binuclear Complexes: Electronic Structures, Aromaticity and Interactions with Hydrogen via Multicenter Bonds 期刊论文  OAI收割 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：28/0  |  提交时间：2018/05/31 All-metal compound  Aromaticity  Density functional theory  Hydrogen multicenter bond  Hydrogen storage   Localization of open-shell molecular orbitals via least change from fragments to molecule 期刊论文  OAI收割 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 All-metal binuclear sandwich complexes Al4Ti2Al4: High capacity hydrogen storage through multicenter bonds 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 页码: 5440-5446 作者:  Zhu, Haiyan;  Han, Ying;  Suo, Bingbing;  Zhai, Gaohong;  Wen, Zhenyi   |  收藏  |  浏览/下载：14/0  |  提交时间：2018/05/31 First-principles prediction  All-metal complex  Hydrogen storage  Binuclear sandwich-type metallocene  Hydrogen multicenter bond   Theoretical Study of Low-Lying Electronic States of PtX (X = F, Cl, Br, and I) Including Spin-Orbit Coupling 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 页码: 6357-6370 作者:  Zou, Wenli;  Suo, Bingbing   |  收藏  |  浏览/下载：14/0  |  提交时间：2018/05/31 Two dimetallocenes with vanadium and chromium: Electronic structures and their promising application in hydrogen storage 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2015, 卷号: 40, 页码: 12047-12056 作者:  Meng, Yong;  Han, Ying;  Zhu, Haiyan;  Yang, Zhanying;  Shen, Kaiyuan   |  收藏  |  浏览/下载：23/0  |  提交时间：2018/05/31 Sandwich-type dimetallocenes  Electronic structures  Hydrogen storage   First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 24 作者:  Li, Zhendong;  Suo, Bingbing;  Liu, Wenjian   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/04/09 New schemes for internally contracted multi-reference configuration interaction 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141 作者:  Wang, Yubin;  Han, Huixian;  Lei, Yibo;  Suo, Bingbing;  Zhu, Haiyan   |  收藏  |  浏览/下载：21/0  |  提交时间：2018/07/05 New implementation of the configuration-based multi-reference second order perturbation theory 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137 作者:  Lei, Yibo;  Wang, Yubin;  Han, Huixian;  Song, Qi;  Suo, Bingbing   |  收藏  |  浏览/下载：21/0  |  提交时间：2018/07/05 Ground States  Perturbation Theory  Schrodinger Equation