机构

• 上海应用物理研究所 [4]
• 福建物质结构研究所 [3]

采集方式

• OAI收割 [7]

内容类型

• 期刊论文 [7]

发表日期

• 2020 [1]
• 2019 [1]
• 2016 [1]
• 2015 [1]
• 2011 [1]
• 2009 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共7条，第1-7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 Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN](-): Spin-Orbit Coupling and Low-Lying Excited States 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 23, 页码: 4712-4719 作者:  Xiong, XG;  Liu, HT   |  收藏  |  浏览/下载：46/0  |  提交时间：2021/09/06 CORRELATED MOLECULAR CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  GAUSSIAN-BASIS SETS  GOLD CHEMISTRY  VALENCE INDEXES  ELECTRONIC-STRUCTURE  STATISTICAL AVERAGE  PERTURBATION-THEORY  BOND ORDER   Formation of Cerium and Neodymium Isocyanides in the Reactions of Cyanogen with Ce and Nd Atoms in Argon Matrices 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 38, 页码: 8208-8219 作者:  Fang, ZT;  Vasiliu, M;  Chen, XT;  Gong, Y;  Andrews, L   |  收藏  |  浏览/下载：42/0  |  提交时间：2020/10/16 ORDER REGULAR APPROXIMATION  ABLATED U ATOMS  INFRARED-SPECTRA  TRIPLE EXCITATIONS  BASIS-SETS  CHEMISTRY  CYANIDE  THORIUM  COORDINATION  U(NC)(2)   High stability of the He atom confined in a U@C-60 fullerene 期刊论文  OAI收割 RSC ADVANCES, 2016, 卷号: 6, 期号: 35, 页码: 29288—29293 作者:  Lei, YY;  Wang, B;  Gao, Y;  Jiang, WR;  Xu, DX 收藏  |  浏览/下载：24/0  |  提交时间：2016/09/12 ORDER REGULAR APPROXIMATION  DENSITY-FUNCTIONAL THEORY  ENDOHEDRAL METALLOFULLERENES  ELECTRONIC-STRUCTURE  BASIS-SETS  32-ELECTRON PRINCIPLE  MOLECULES  CHEMISTRY  ENERGY  PSEUDOPOTENTIALS   On the gold-ligand covalency in linear [AuX2](-) complexes 期刊论文  OAI收割 DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 12, 页码: 5535—5546 作者:  Xiong, XG;  Wang, YL;  Xu, CQ;  Qiu, YH;  Wang, LS 收藏  |  浏览/下载：31/0  |  提交时间：2015/12/09 CORRELATED MOLECULAR CALCULATIONS  COUPLED-CLUSTER CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  CONSISTENT BASIS-SETS  CONVERGENT BASIS-SETS  GAUSSIAN-BASIS SETS  THEORETICAL CHEMISTRY  ELECTRONIC-STRUCTURE  SUPERHEAVY ELEMENTS   Mechanism Insights into Second-Order Nonlinear Optical Responses of Anionic Metal Clusters 期刊论文  OAI收割 Journal of Cluster Science, 2011, 卷号: 22, 期号: 3, 页码: 365-380 Q. H. Li; K. C. Wu; R. J. Sa; Y. Q. Wei 收藏  |  浏览/下载：91/0  |  提交时间：2012/06/06 Density functional calculations  Charge transfer  Metal-metal  interactions  Nonlinear optics  correct asymptotic-behavior  order regular approximation  density-functional theory  quadratic hyperpolarizability  correlation  energies  crystal-structure  screening model  nlo properties  electron-gas  complexes   Second-order nonlinear optical properties of transition metal clusters MoS4Cu4X2Py2 (M = Mo, W; X = Br, I) 期刊论文  OAI收割 Physical Chemistry Chemical Physics, 2009, 卷号: 11, 期号: 22, 页码: 4490-4497 Q. H. Li, K. C. Wu, Y. Q. Wei, R. J. Sa, Y. P. Cui, C. G. Lu, J. Zhu and J. G. He 收藏  |  浏览/下载：20/0  |  提交时间：2012/11/06 density-functional theory  heteronuclear bimetallic complexes  ruthenium(ii) ammine complexes  correct asymptotic-behavior  order  regular approximation  hyper-rayleigh scattering  electron  molecular-system  quadratic hyperpolarizabilities  1st  hyperpolarizabilities  heterothiometallic clusters   Direct metal-metal interaction contributions to quadratic hyperpolarizability: A study on dirhenium complexes 期刊论文  OAI收割 Journal of Physical Chemistry A, 2008, 卷号: 112, 期号: 22, 页码: 4965-4972 Q. H. Li; R. J. Sa; Y. Q. Wei and K. C. Wu 收藏  |  浏览/下载：28/0  |  提交时间：2013/01/22 nonlinear-optical-properties  correct asymptotic-behavior  order regular  approximation  density-functional theory  electron-acceptor groups  mixed-valence complexes  fe-ii complexes  transition-metal  sesquifulvalene complexes  1st hyperpolarizabilities