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浏览/检索结果:
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Correlation of the hidden-charm molecular tetraquarks and the charmoniumlike structures existing in the B -> XYZ plus K process
期刊论文
PHYSICAL REVIEW D, 2021, 卷号: 104, 期号: 10, 页码: 29
作者:
Wang, Fu-Lai
;
Yang, Xin-Dian
;
Chen, Rui
;
Liu, Xiang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/01/07
K- p Correlation Function from High-Energy Nuclear Collisions and Chiral SU(3) Dynamics
期刊论文
PHYSICAL REVIEW LETTERS, 2020, 卷号: 124, 期号: 13, 页码: 132501
作者:
Kamiya, Yuki
;
Hyodo, Tetsuo
;
Morita, Kenji
;
Ohnishi, Akira
;
Weise, Wolfram
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  |  
浏览/下载:4/0
  |  
提交时间:2020/06/16
CHARGE-EXCHANGE SCATTERING
MOMENTUM RANGE
STATE
PARTICLES
MESONS
Rational design of super-alkalis and their role in CO2 activation
期刊论文
NANOSCALE, 2017
Zhao, Tianshan
;
Wang, Qian
;
Jena, Puru
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  |  
浏览/下载:8/0
  |  
提交时间:2017/12/03
X-ALPHA CALCULATIONS
BUILDING-BLOCKS
ELECTRONIC-STRUCTURE
SUPERALKALI CATIONS
ALUMINUM CLUSTERS
ATOMIC CLUSTERS
SUPERHALOGENS
ANIONS
ION
AFFINITIES
Characterizing Ni(II) hydration in aqueous solution using DFT and EXAFS
期刊论文
JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 1
作者:
Liu, H. Y.
;
Fang, C. H.
;
Fang, Y.
;
Zhou, Y. Q.
;
Ge, H. W.
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  |  
浏览/下载:18/0
  |  
提交时间:2018/06/20
Nickel Ion
Coordination Number
Hydration Shell
Dft
Exafs
Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Li, Zhendong
;
Liu, Wenjian
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浏览/下载:6/0
  |  
提交时间:2017/12/04
EXCHANGE-CORRELATION POTENTIALS
EXCITATION-ENERGIES
CONFIGURATION-INTERACTION
MOLECULAR CALCULATIONS
PROGRAM PACKAGE
SIZE-CONSISTENT
MODEL
APPROXIMATION
SPECTRA
RADICALS
The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015
Fang, Huayi
;
Jing, Huize
;
Ge, Haonan
;
Brothers, Penelope J.
;
Fu, Xuefeng
;
Ye, Shengfa
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
HYDROGEN-ATOM TRANSFER
COUPLED ELECTRON-TRANSFER
APPROXIMATE COULOMB POTENTIALS
DENSITY-FUNCTIONAL THEORY
AUXILIARY BASIS-SETS
MAIN-GROUP ELEMENTS
PORPHYRIN COMPLEXES
CORRELATION-ENERGY
EXCHANGE REACTIONS
TRANSITION-METALS
Surface calculations with asymptotically long-ranged potentials in the full-potential linearized augmented plane-wave method
期刊论文
PHYSICAL REVIEW B, 2015
Ye, Lin-Hui
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  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL THEORY
EXCHANGE-CORRELATION POTENTIALS
ELECTRONIC-STRUCTURE
BAND-STRUCTURE
THIN-FILMS
EXCITATION-ENERGIES
METAL-SURFACES
MODEL
EIGENVALUES
MOLECULES
Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C-60 Using Tuned Range-Separated Hybrid Functionals
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 卷号: 10, 期号: 6, 页码: 2379-2388
作者:
Zhang, Cai-Rong
;
Sears, John S.
;
Yang, Bing
;
Aziz, Saadullah G.
;
Coropceanu, Veaceslav
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  |  
浏览/下载:2/0
  |  
提交时间:2019/11/15
Substituent effects on electronic structure and spectral property of Zn(II) complexes based on the OONX ligands: DFT and TDDFT theoretical studies
期刊论文
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2014, 卷号: 192, 页码: 7-12
作者:
Yu, Xiaohan
;
Zhang, Yanxin
;
Zhang, Jinglai
;
He, Hongqing
;
Wang, Li
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  |  
浏览/下载:14/0
  |  
提交时间:2015/06/24
Zn(II) complexes
Spectroscopy
Substituent effect
Dielectric constant of NiO and LDA plus U
期刊论文
physical review b, 2013
Ye, Lin-Hui
;
Luo, Ning
;
Peng, Lian-Mao
;
Weinert, M.
;
Freeman, A. J.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/13
DENSITY-FUNCTIONAL THEORY
GENERALIZED-GRADIENT-APPROXIMATION
EXCHANGE-CORRELATION POTENTIALS
ELECTRONIC-STRUCTURE
SYSTEMS
FIELD
POLARIZABILITIES
INSULATORS
ENERGIES
SURFACES
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