中国科学院机构知识库网格系统: 检索

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	A dual approach to study the synthesis, crystal structure and nonlinear optical properties of binuclear Pd(II) complex of 3-methyl-5-(trifluoromethyl) pyrazole and its potential quantum chemical analogues 期刊论文 OAI收割 INORGANICA CHIMICA ACTA, 2019, 卷号: 494, 页码: 160-167 作者: Muhammad, S; Hussain, S; Chen, XN; Al-Sehemi, AG; Li, ZJ \| 收藏 \| 浏览/下载：103/0 \| 提交时间：2020/10/16 PALLADIUM COMPLEXES MOLECULAR CALCULATIONS ABSOLUTE HARDNESS TRANSITION HYPERPOLARIZABILITIES DERIVATIVES DINUCLEAR EFFICIENT COPPER(I) ENERGIES
	Beam-energy-dependent two-pion interferometry and the freeze-out eccentricity of pions measured in heavy ion collisions at the STAR detector 期刊论文 OAI收割 PHYSICAL REVIEW C, 2015, 卷号: 92, 期号: 1, 页码: — 作者: Adamczyk, L; Adkins, JK; Agakishiev, G; Aggarwal, MM; Ahammed, Z 收藏 \| 浏览/下载：317/0 \| 提交时间：2016/03/04 QUARK-GLUON PLASMA RELATIVISTIC NUCLEAR COLLISIONS BOSE-EINSTEIN CORRELATIONS TRANSVERSE-MOMENTUM COULOMB CORRECTIONS PB+PB COLLISIONS PHASE-TRANSITION CRITICAL-POINT SPS ENERGIES QCD
	Theoretical study on K, L, and M X-ray transition energies and rates of neptunium and its ions 期刊论文 OAI收割 CHINESE PHYSICS B, 2014, 卷号: 23 作者: Saber, Ismail Abdalla; Dong Chen-Zhong; Wang Xiang-Li; Zhou Wei-Dong; Wu Zhong-Wen \| 收藏 \| 浏览/下载：15/0 \| 提交时间：2018/07/05 Np Ions Transition Energies Transition Rates k l And m X-rays
	Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2 '-bipyridine 期刊论文 OAI收割 Inorganic Chemistry, 2011, 卷号: 50, 期号: 18, 页码: 9090-9096 J. Ni; X. Zhang; N. Qiu; Y. H. Wu; L. Y. Zhang; J. Zhang; Z. N. Chen 收藏 \| 浏览/下载：36/0 \| 提交时间：2012/06/06 crystalline colloidal arrays polarizable continuum model ab-initio pseudopotentials closed-shell attraction transition-elements excitation-energies ligands photoluminescence gold(i) photophysics
	Theoretical investigation on electronic structure and luminescent properties of 6-phenyl-4-(p-R-phenyl)-2,2 '-bipyridyl (R = Me, COOMe, P(O)(OEt)(2)) (C boolean AND N boolean AND N) platinum(II) R '(R ' = Cl or C CPh) complexes 期刊论文 OAI收割 organic electronics, 2011, 卷号: 12, 期号: 1, 页码: 51-61 Li XN; Wu ZJ; Zhou L; Liu XJ; Zhang HJ 收藏 \| 浏览/下载：8/0 \| 提交时间：2012/06/12 DENSITY-FUNCTIONAL THEORY TRANSITION-METAL-COMPLEXES EFFECTIVE CORE POTENTIALS ELECTROLUMINESCENT DEVICES PHOTOPHYSICAL PROPERTIES IRIDIUM(III) COMPLEXES MOLECULAR CALCULATIONS EXCITATION-ENERGIES WITHDRAWING GROUPS HIGH-EFFICIENCY
	First-principles study of magnetic properties of 3d transition metals doped in zno nanowires 期刊论文 iSwitch采集 Nanoscale research letters, 2009, 卷号: 4, 期号: 5, 页码: 480-484 作者: Shi, Hongliang; Duan, Yifeng 收藏 \| 浏览/下载：17/0 \| 提交时间：2019/05/12 First-principles Transition-metals Formation energies Nanowires Magnetism
	First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires 期刊论文 OAI收割 nanoscale research letters, 2009, 卷号: 4, 期号: 5, 页码: 480-484 Shi HL; Duan YF 收藏 \| 浏览/下载：244/55 \| 提交时间：2010/03/08 First-principles Transition-metals Formation energies Nanowires Magnetism
	Density functional theory study on electronic structure of N-doped ln(2)O(3) 期刊论文 OAI收割 Journal of Molecular Structure-Theochem, 2008, 卷号: 866, 期号: 1-3, 页码: 75-78 S. B. Liu; J. Q. Li; Y. F. Zhang; X. L. Xu and Z. H. Chen 收藏 \| 浏览/下载：24/0 \| 提交时间：2013/01/22 Spin-unrestricted Density functional theory calculations Formation energies Electronic structure Density of states codoped tio2 photocatalysts molecular wave functions corundum-type in2o3 population analysis optical-properties thin-film water oxide transition powders
	The effect of Nb and V on the electronic structure of edge dislocation core in Fe 期刊论文 OAI收割 Computational Materials Science, 2007, 卷号: 39, 期号: 3, 页码: 557-562 H. L. Dang; C. Y. Wang 收藏 \| 浏览/下载：24/0 \| 提交时间：2012/04/13 electronic structure dislocation first principles method bcc transition-metals hydrogen embrittlement precipitation complexes efficient energies exchange defects ni3al