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期刊Spin-Orbit Electronic Structure of the ScBr Molecule
《现代物理(英文)》2011年第10期1172-1177,共6页Alaa Hamdan Mahmoud Korek 
A theoretical investigation of the spin-orbit electronic states of the molecule ScBr has been performed via CASSCF and MRCI (single and double excitations with Davidson correction) calculations. Spin-orbit effects hav...显示全部
关键词:ScBr MOLECULE ab INITIO CALCULATION SPIN-ORBIT CALCULATION Potential Energy CURVES Spectroscopic constants 
期刊A density functional study on the electronic structures of TiN solid
《中国化学:英文版》2000年第3期286-293,共8页李俊乹 章永凡 
Project supported by the National Natural Science Foundation of China (No. 29673010) and grants from the State Key Laboratory of Structural Chemistry (No. 990018).
The electronic structures of TiN bulk have been studied by using different theoretical formalisms, and the DFT method, especially the BLYP method can produce reasonable results. The band structure of TiN (001) surface...显示全部
关键词:Transition metal mononitrides DENSITY functional theory BAND structure DENSITY of state (DOS) surface STATES ELASTIC constants 
期刊Variational Calculation for Large Bipolarons in Arbitrary Dimensions
《中国物理快报:英文版》1994年第6期361-364,共4页CHEN Qinghu WAN Shaolong WANG Kelin 
Supported by the National Nonlinear Science Foundation.
The calculation model of the large bipolaron binding energy proposed by Verbist et al.is extended to arbitrary dimensions including fractal dimensions.It is found that the fractal dimension D=1.25 corresponds to the l...显示全部
关键词:constants constants FRACTAL 
期刊On an Expression of Extraction constants without the Interfacial Equilibrium-Potential Differences for the Extraction of Univalent and Divalent Metal Picrates by Crown Ethers into 1,2-Dichloroethane and Nitrobenzene
《美国分析化学(英文)》2015年第4期350-363,共14页Yoshihiro Kudo Shoichi Katsuta 
An idea on interfacial equilibrium-potential differences () which are generated for the extraction of univalent metal picrate (MPic) and divalent ones (MPic2) by crown ethers (L) into high-polar diluents was improved....显示全部
关键词:EXTRACTION constants Distribution Constant of a Single Ion INTERFACIAL Equilibrium-Potential Differences 1 2-Dichloroethane NITROBENZENE Metal PICRATES Crown Ethers 
期刊HEAVY METAL COMPLEXATION CAPACITY OF THE SOUTH CHINA SEA WATER
《中国海洋湖沼学报:英文版》1990年第2期158-166,共9页张曼平 郭博书 张正斌 刘莲生 
This project was supported by a grant from the State Educational Commission for subsidizing excellent young teachers and a grant from the National Science Foundation Commission of China.
The seawater complexation capacity for heavy metals (copper, lead and cadmium )in the South China Sea was determined by anodic voltammetry and the conditional stability constants of these complexes were calculated. Th...显示全部
关键词:anodic VOLTAMMETRY DECREASING seawater opposite constants Qingdao Buckley ATLANTIC REACHING 
期刊Oxidation of estrone by permanganate: Reaction kinetics and estrogenicity removal被引量:1
《科学通报:英文版》2010年第9期802-808,共7页XiaoLing Shao Jun Ma Gang Wen JingJing Yang 
supported by the Ministry of Education of China under the scheme of Key Project of Innovation (Grant No. 705013);the National Natural Science Foundation of China under the Scheme of National Creative Research Groups (Grant No. 50821002)
Permanganate was used as an oxidant to control estrone in the present study. Kinetics was determined at pH 2.5-9.4 and temperature 15–40°C for the reaction of estrone with potassium permanganate. It was found th...显示全部
关键词:ESTRONE PERMANGANATE rate constants ESTROGENICITY 
期刊Conservation Laws of Physics in Dirac Vacuum and β-Decay of Nuclei
《系统工程与电子技术:英文版》1995年第4期45-58,共14页Erich R. Bagge (Institute for Pure & Applied Nuclear Physics, Christian Albrechts University, Kiel, Germany) 
The laws of conservation of energy, linear momentum. and angular momentum of a system form a closed unit according to Noether’s theorem. A generalization of these laws (including spin) for elementary par- ticles taki...显示全部
关键词:Conservation LAWS Elementary particles β-Decay EM interactions FERMI interaction Coupling constants DIRAC VACUUM Anti-world. 
期刊First-Principles Study of Structural,Magnetic,Electronic and Elastic Properties of PuC_2
《理论物理通讯:英文版》2016年第10期447-452,共6页杨荣 唐斌 高涛 敖冰云 
the National Natural Science Foundation of China under Grant Nos.21371160,21401173;the Science Challenge Program of China
We perform first-principles calculations of crystal structure,magnetism,electronic structure,chemical bonding and elastic properties for PuC_2 using the standard local spin-density approximation(LSDA)+U scheme.The use...显示全部
关键词:COVALENT bonding MAGNETISM HUBBARD ionic constants narrow BONDS modulus systematically 
期刊SOME ALGEBRAIC PROPERTIES OF "C-INTEGRABLE" NONLINEAR EQUATIONS (Ⅰ)——BURGER EQUATION AND CALOGERO EQUATION
《中国科学:数学英文版》1990年第5期513-520,共8页李翊神 
Project supported by the Fund of the State Education Commission of PRC
In this paper, the symmetries of the Burger and Calogero equation are found. These symmetries form the same Lie algebra. The Hamiltonian of the Calogero equation and the third-order Burger equation are considered as w...显示全部
关键词:INTEGRABLE system Hamiltonian constants of motion symmetries. 
期刊Predictions of pressure-induced structural transition,mechanical and thermodynamic properties of α-and β-Si_3N_4 ceramics:ab initio and quasi-harmonic Debye modeling
《中国物理B:英文版》2012年第6期130-140,余本海 陈东 
Project supported by the National Natural Science Foundation of China (Grant Nos. 11105115 and 11005088);the Project of Basic and Advanced Technology of Henan Province,China (Grant No. 112300410021)
The plane-wave pseudo-potential method within the framework of ab initio technique is used to investigate the structural and elastic properties of α-and β-Si3N4.The ground-state parameters accord quite well with th...显示全部
关键词:ab INITIO elastic constants phase transition Poisson ratio 
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