Manganese tetravalent oxide (MnO2),a superstar Faradic electrode material,has been investigated extensively for capaciti......

为了开发一种快速、高效、灵敏的钒(V)价态分析方法,利用高效液相色谱(HPLC)分离和定量EDTA络合V(Ⅲ)、V(Ⅳ)和V(Ⅴ)离子.研究EDTA......

A fundamental problem in neuroscience is how emotional valences are represented in the brain....

本研究採用事件相關電位的方法，探討在菸盒上，使用不同的恐懼訴求類型與注意力之間的關係， 而吸菸者及非吸菸者觀看不同的警示圖片時，......

<正> The ionic character percentage 9％ of molecules or crystals is often expressed by dividing the effective charge of th......

Ⅰ. THE VALENCE ELECTRON STRUCTURES OF MARTENSITE IN LOW ALLOY ULTRAHIGH-STRENGTH STEELS AND THE SEGREGATION OF C-ME IN ......

共有原子价电子对数字和共有原子价契约精力的分发在碳化物 F3C 是不一致的，这被发现，(Fe， Cr ) 3C 并且(Fe， Mn ) 3C，在哪个之间的精力......

Based on the empirical electron theory of solids and molecules of S. H. Yu, this paper proposes （i） the calculating model ......

Based on S. H. Yu’s empirical electron theory of solids and molecules, the valence electron structure of austenite in l......

This paper presents an efficient algorithm for energy gradients in valence bond self-consistent field(VBSCF) method with......

The valence electron structures and bond energy of M3C pattern carbides in white cast irons are calculated on the basis ......

Amorphous La2Hf2O7 films were grown on Si(100) by pulsed laser deposition method. The valence and conduction band offset......

High-quality needle-like CuTaS3 single crystals have been synthesized through a chemical vapor transport(CVT) process.Cr......

The influence of the lone pair of electrons in thallium complexes is analyzed using the bond valence sum method.Bond len......

BaMgAl10O17:Eu2+,Yb3+ was investigated as a possible quantum cutting system to enhance solar cells efficiency. Phosphors......

The N-doping effects on the electronic properties of Cu2O crystals are investigated using density functional theory.The ......

The structural,electronic and optical properties of KNbO 3 (KN),NaNbO3(NN)and K05 Na0.5NbO3(KNN) in paraelectric cubic p......

The effect of triaxial strains on the band gap of wurtzite ZnO has been investigated by the first principles calculation......

The catalytic performance of Pt-based catalysts for the total oxidation of hydrocarbons was investigated.The activity of......

Orbital responses to methyl sites in C_nH_(2n+2) (n=1-6) are studied by B3LYP/TZVP based on the most stable geometries u......

Electron density distributions of 2-aminoethanol (2AE) and 2-amino-1-propanol (2AP) are calculated in both the coordinat......

The electronic structures and optical properties of II?III2?VI4(II = Zn, Cd; III = In; VI = Se, Te) compounds are studie......

The nano-nickel hydroxide samples were prepared by means of ultrasonic-assisted precipitation and the impact of source/d......

A new mixed-valence cyanide-bridged complex, Br3Fe(μ-NC)RuBr(dppm)2(dppm = bis(diphenylphosphino)methane), was obtained......

In this paper, a combined QM/MM/PCM approach, named VBEFP/PCM, is presented for ab initio VB study with a solvent effect......

The CuO/CeO2 catalysts were investigated by means of X-ray diffraction(XRD),laser Raman spectroscopy(LRS),X-ray photoele......

Herein reported is an example of one-dimensional coordination polymer [CoII(3,5-DBsq)2(dpg)]·(3,5-H2DBcat)2 (1) (3,5-DB......

A new separation method of neptunium from large amount of plutonium by TEVA column has been developed.A series of influe......

In some stages of the Purex process,determination of the concentration of various valence of Pu is necessary for the eff......

The geometries,relative stabilities,energy gaps,binding energies,frequencies,electronic structures and magnetic properti......

A new mixed-valence heterometal cluster Mo8VW2VIO26(C5H5N)8·2H2O has been synthesized under solvothermal conditions and......

A 3D mixed-valence Co(III)–Co(II) compound [Co9(bta)10(Hbta)2(H2O)10]n·[22(H2O)]n(1)(H2bta=N,N-bis(1H-tetrazole-5-yl)-......

Taking advantage of the nitrogen(N)-participation and large surface area of N-doped carbon nanocages(NCNCs),the Co Ox na......

Galvanic deposition method was used to prepare the Pd/Ni-Al2O3-GD catalyst for the combustion of methane under lean cond......

A novel CaCu_3Cu_2Ir_2O_(12-δ) polycrystalline sample was synthesized at 8 GPa and 1373 K.Rietveld structural analysis ......

Oxide nanotubes with different diameters and lengths were fabricated on the biomedical Ti2448 alloy by anodic oxidation ......

Relativistic quantum chemistry investigations are carried out to tackle the puzzling oxidation state problem in a series......

Reaction of a tripodal ligand, N,N?,N??-tris(3-pyridinyl) phosphoric trimide(TPPA) and CuBr_2·2H_2O result in the assem......

A vanadyl phosphate containing a new member of tancoite-like single chain,(DAPH2)[VIVO(HPO4)2]·xH2O(x≈0.2,DAP=1,3-diam......

A novel inorganic-organic hybrid compound,{[Co(dien)]4[(PO4)MoV8(WVI0.56MoVI0.44)4-O33(OH)3]}·nH2O(1,n≈1,dien=diethyle......

The electronic structure of Eu-doped NaTaO_3 in Na-rich environment is investigated by the first-principles theory. By s......

The chemical bonding nature of rare earth(RE) elements can be studied by a quantitative analysis of electron domain of a......

Surface modification may be an effective means for controlling the properties of germanane,i.e.,hydrogenated germanene.I......

We present here a systematic theoretical study to explore the underlying mechanisms of the H abstraction reaction from m......

A series of Yb:Nd:LiNbO_3 crystals tridoped with various concentrations of Zr~(4+)(1 mol.%, 2 mol.% and 4 mol.%) were gr......

Carbon surface with large oxygen and carbon ratio(O/C) indicated an outstanding electro-catalytic activity toward L-asco......

The big challenge in rare earth(RE)resource utilization is to effectively manage their balanced use and advanced applica......

Non- radiative recombination enhanced point defect reaction in semiconductors has been unambiguously observed by direct......

The average bond energy method is popularized and applied to study band offsets at strained layer heterojunctions. By ca......

Using a four-parameter model based on extended Miedema’ s cellular model of alloy phases and pattern recognition method......