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厦门大学 [5]

安徽大学 [2]

北京大学 [1]

西安交通大学 [1]

大连理工大学 [1]

理论物理研究所 [1]

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	Resonant states and pseudospin symmetry in the Dirac Morse potential 期刊论文 Phys. Rev. A, 2013, 卷号: Vol.87, 页码: 052122 作者: Niu,Zhong-Ming; Liu,Quan; Guo,Jian-You 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/04/22 MEAN-FIELD-THEORY COUPLING-CONSTANT ANALYTIC CONTINUATION STABILIZATION METHOD UNBOUND STATES QUANTUM-THEORY SPIN SYMMETRY ENERGIES EXPLORATION OSCILLATOR
	Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 期刊论文 http://dx.doi.org/10.1063/1.3703893, 2012 Zhang, Igor Ying; Su, Neil Qiang; Bremond, Eric A. G.; Adamo, Carlo; Xu, Xin; 徐昕收藏 \| 浏览/下载：8/0 \| 提交时间：2015/07/22 BOND-DISSOCIATION ENERGIES THERMOCHEMICAL KINETICS EXACT-EXCHANGE STABILIZATION ENERGIES NONBONDED INTERACTIONS ADJUSTABLE-PARAMETERS BENCHMARK DATABASE CHEMICAL ACCURACY BASIS-SET I-PR
	Silicon-Containing Formal 4 pi-Electron Four-Membered Ring Systems: Antiaromatic, Aromatic, or Nonaromatic? 期刊论文 chemistry a european journal, 2012 Yang, Yun-Fang; Cheng, Gui-Juan; Zhu, Jun; Zhang, Xinhao; Inoue, Shigeyoshi; Wu, Yun-Dong 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/11 aromaticity conjugation density functional calculations molecular orbital analysis silicon INDEPENDENT CHEMICAL-SHIFTS SUBSTITUTED CYCLOBUTADIENE ELECTRON DELOCALIZATION STABILIZATION ENERGIES THEORETICAL EVALUATION BONDING PROPERTIES SIGMA-CONJUGATION DENSITY TETRASILACYCLOBUTADIENE COMPLEXES
	Is C-60 buckminsterfullerene aromatic? 期刊论文 http://dx.doi.org/10.1039/c2cp42146a, 2012 Chen, Zhongfang; Wu, Judy I.; Corminboeuf, Clemence; Bohmann, Jonathan; Lu, Xin; Hirsch, Andreas; Schleyer, Paul von Rague; 吕鑫收藏 \| 浏览/下载：3/0 \| 提交时间：2015/07/22 INDEPENDENT CHEMICAL-SHIFTS CURRENT MAGNETIC-SUSCEPTIBILITY SPHERICAL AROMATICITY ICOSAHEDRAL C-60 RING CURRENTS STABILIZATION ENERGIES AB-INITIO HE-3 NMR FULLERENES MOLECULE
	XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures 期刊论文 http://dx.doi.org/10.1039/c2cp40904f, 2012 Zhang, Igor Ying; Xu, Xin; 徐昕收藏 \| 浏览/下载：7/0 \| 提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY GAUSSIAN-BASIS SETS CORRELATED MOLECULAR CALCULATIONS ZETA VALENCE QUALITY FORCE-FIELD MODELS ACID BASE-PAIRS THERMOCHEMICAL KINETICS NONBONDED INTERACTIONS BENZENE DIMER STABILIZATION ENERGIES
	What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O) (n) (n=1-10) 期刊论文 THEORETICAL CHEMISTRY ACCOUNTS, 2011, 卷号: 130, 期号: [db:dc_citation_issue], 页码: 341-352 作者: Li, Fengyu; Wang, Lu; Zhao, Jijun; Xie, John Rui-Hua; Riley, Kevin E. 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/10 Density functional theory Vibrational frequencies Water cluster CCSD(T) Dipole moment Basis set MP2 Relative energies Structures Stabilization energy
	What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O) (n) (n=1-10) 期刊论文 THEORETICAL CHEMISTRY ACCOUNTS, 2011, 卷号: 130, 页码: 341-352 作者: Li, Fengyu; Wang, Lu; Zhao, Jijun; Xie, John Rui-Hua; Riley, Kevin E. 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/18 Water cluster Density functional theory MP2 CCSD(T) Basis set Structures Relative energies Stabilization energy Dipole moment Vibrational frequencies
	Application of the complex scaling method in relativistic mean-field theory 期刊论文 Physical Review, 2010, 卷号: Vol.82 No.3, 页码: 034318 作者: Fang,XZ; Wang,J; Yao,BM 收藏 \| 浏览/下载：2/0 \| 提交时间：2019/04/22 COUPLING-CONSTANT METHOD GROUND-STATE PROPERTIES STABILIZATION METHOD FINITE NUCLEI RESONANCES CONTINUATION ENERGIES DENSITY MODEL
	A spherical-box approach for resonances in the presence of the Coulomb interaction 期刊论文 JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2009, 卷号: 42, 期号: 24, 页码: - 作者: Zhao, En-Guang; Zhou, Shan-Gui; Meng, Jie; Zhou, SG , Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, Beijing 100190, Peoples R China 收藏 \| 浏览/下载：10/0 \| 提交时间：2012/08/02 Hartree-bogoliubov Theory Stabilization Method Coupling-constant Analytic Continuation Unbound States Energies Widths Model Exploration Scattering
	羰基镍簇Ni(CO)n (n=1~4)和铱杂环化合物的密度泛函理论研究学位论文 2006, 2006 潘立新收藏 \| 浏览/下载：1/0 \| 提交时间：2016/02/14 密度泛函键解离能基组重叠误差电子结构稳定性 DFT Bond Dissociation Energies BSSE Electronic Structures Stabilization

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