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科研机构

近代物理研究所 [17]

北京大学 [9]

西安交通大学 [4]

化学研究所 [2]

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期刊论文 [31]

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	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：34/0 \| 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 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 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：15/0 \| 提交时间：2018/05/31 First-principles prediction All-metal complex Hydrogen storage Binuclear sandwich-type metallocene Hydrogen multicenter bond
	Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017 Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：8/0 \| 提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY MULTIREFERENCE PERTURBATION-THEORY GAUSSIAN-BASIS SETS GENERALIZED-GRADIENT-APPROXIMATION CORRELATED MOLECULAR CALCULATIONS CONFIGURATION-INTERACTION METHOD POTENTIAL-ENERGY SURFACES MODEL-SPACE COEFFICIENTS COUPLED-CLUSTER METHOD ANO BASIS-SETS
	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：7/0 \| 提交时间：2017/12/03 HARTREE-FOCK ORBITALS ELECTRONIC-STRUCTURE CALCULATIONS CONSISTENT-FIELD METHOD BASIS-SETS AB-INITIO QUANTUM-MECHANICS WANNIER FUNCTIONS ELONGATION METHOD EFFICIENT METHOD PROGRAM PACKAGE
	A quantum chemical definition of electron-nucleus correlation 期刊论文 THEORETICAL CHEMISTRY ACCOUNTS, 2017 Cassam-Chenai, Patrick; Suo, Bingbing; Liu, Wenjian 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/03 Electron-nucleus correlation Mean field configuration interaction Non-adiabatic BORN-OPPENHEIMER CALCULATIONS PROTON CORRELATION HYDROGEN MOLECULE PROGRAM PACKAGE WAVE-FUNCTIONS APPROXIMATION ATOMS BDF
	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
	All-metal binuclear sandwich complexes Al4Ti2Al4: High capacity hydrogen storage through multicenter bonds 期刊论文 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：5/0 \| 提交时间：2019/11/26 Binuclear sandwich-type metallocene All-metal complex First-principles prediction Hydrogen multicenter bond Hydrogen storage

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