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	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
	Metrically regular mappings and its application to convergence analysis of a confined Newton-type method for nonsmooth generalized equations 期刊论文 OAI收割 SCIENCE CHINA-MATHEMATICS, 2019, 页码: 22 作者: Rashid, Mohammed Harunor; Yuan, Ya-xiang \| 收藏 \| 浏览/下载：23/0 \| 提交时间：2020/05/24 set-valued mappings generalized equations metrically regular mapping semilocal convergence point-based approximation
	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：44/0 \| 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：25/0 \| 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：92/0 \| 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