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Development of Finnis-Sinclair potential of metal Nb and the influence of potential function form on the properties of material
期刊论文
ACTA PHYSICA SINICA, 2021, 卷号: 70, 期号: 11, 页码: 14
作者:
Gao Jing-Yi
;
Sun Jia-Xing
;
Wang Xun
;
Zhou Gang
;
Wang Hao
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浏览/下载:32/0
  |  
提交时间:2021/10/15
construction of interatomic potential
metal Nb
Finnis-Sinclair potential
function form of interatomic potential
Ion-pair recognition based on halogen bonding: a case of the crown-ether receptor with iodo-trizole moiety
期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 2, 页码: 533-540
作者:
Zhou, Li
;
Lu, Yunxiang
;
Xu, Zhijian
;
Peng, Changjun
;
Liu, Honglai
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  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
Ion-pair recognition
Halogen bonding
Ditopic receptor
Cooperativity
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
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  |  
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
NMR and theoretical study on the coordination interaction between peroxovanadium( V) complexes and 5-amino-1,10-phenanthroline
期刊论文
http://dx.doi.org/10.1080/00958972.2014.880783, 2014
Yu, Xianyong
;
Deng, Lin
;
Tao, Hongwen
;
Jiang, Bingfei
;
Li, Xiaofang
;
于贤勇
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  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
AMINO-ACIDS
VANADIUM COMPOUNDS
LIGANDS
1,10-PHENANTHROLINE
DNA
DIPEROXOVANADATE
SUBSTITUTION
POTENTIALS
CONTINUUM
ENERGIES
Theoretical study on supramolecular chemistry of alkali-metal cations with crown ether derivatized thiophenes
期刊论文
http://dx.doi.org/10.1142/S0219633614500291, 2014
Wang, Qin
;
Li, Mi
;
Wang, Xue-Ye
;
Li, Ling
;
王勤
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  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
EFFECTIVE CORE POTENTIALS
DENSITY-FUNCTIONAL THEORY
PI-CONJUGATED SYSTEMS
BASIS-SETS
ORBITALS
SENSORS
POLYTHIOPHENES
COMPLEXES
MACHINES
IONS
Raman Spectra of Amino Wagging Vibrational Modes in p-pi-Conjugated Molecules
期刊论文
http://dx.doi.org/10.3866/PKU.WHXB201306032, 2013
Tao Sha
;
Yu Li-Juan
;
Wu De-Yin
;
Tian Zhong-Qun
;
吴德印
;
田中群
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  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
INFRARED DEPLETION SPECTROSCOPY
EFFECTIVE CORE POTENTIALS
SUPERSONIC JET
ANILINE
CLUSTERS
AG
ADSORPTION
VINYLAMINE
SILVER
PHASE
Effective pair potentials between nanoparticles induced by single monomers and polymer chains
期刊论文
http://dx.doi.org/10.1039/c3sm50495f, 2013
Cao, Xue-Zheng
;
Merlitz, Holger
;
Wu, Chen-Xu
;
Egorov, S. A.
;
Sommer, Jens-Uwe
;
吴晨旭
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  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
HARD-SPHERE MIXTURES
COLLOIDAL PARTICLES
PHASE-SEPARATION
MOLECULAR-DYNAMICS
DEPLETION POTENTIALS
COMPUTER-SIMULATION
PROTEIN LIMIT
ENTROPY
POLYSACCHARIDE
FLUCTUATIONS
三轴围压下砂浆弹塑性损伤变形过程的细观力学分析
期刊论文
工程力学, 2011, 卷号: 28, 期号: 10, 页码: 158-164,196
作者:
刘芳
;
付强
;
陈岑
;
梁乃刚
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  |  
浏览/下载:22/0
  |  
提交时间:2012/04/01
弹塑性损伤本构关系
三轴围压
构元组集模型
非比例加载
砂浆
An elasto-plastic damage constitutive theory and its prediction of evolution of subsequent yield surfaces and elastic constants
期刊论文
International Journal of Plasticity, 2011, 卷号: 27, 期号: 9, 页码: 1355-1383
作者:
Liu F(刘芳)
;
Fu Q(付强)
;
Chen C(陈岑)
;
Liang NG(梁乃刚)
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  |  
浏览/下载:21/0
  |  
提交时间:2012/04/01
Subsequent Yield Surface
Non-Proportional Loading
Finite Deformation
Elasto-Plastic Damage Constitutive Relation
Component Assembling Model
Component Assembling Model
Metal Plasticity
Polycrystalline Metals
Induced Anisotropy
Aluminum-Alloy
Distortion
Thermodynamics
Deformation
Mechanics
Extension
Valence space electron momentum spectroscopy of diborane
期刊论文
2010, 2010
Wang, F
;
Pang, WN
;
Huang, M
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浏览/下载:3/0
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