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为推广聚氨酯保温在建筑领域的应用,本着技术先进、工艺可靠、保证质量、节能效果明显的原则,并遵循《硬泡聚氨酯外墙外保温技术导......
Molecular dynamics simulations were performed to study interactions between atomic hydrogen and silicon carbon.In presen......
The morphology and properties of Ag-SnO2 composites by electroplating method were discussed.The morphology, physical pro......
实验分析了硬脆材料旋转超声磨削过程中刀具结合剂类型对加工性能的影响以便提高加工精度和加工表面的完整性。首先, 采用能谱分析......
<strong>Introduction:</strong> The aim of this study was to determine whether there was a significant difference in shea......
目的:观察与比较Super Bond C&B和箱状固位形在短冠磨牙冠修复中的疗效。方法:选取2019年4月~2021年3月大面积缺损短冠磨牙(90颗)......
Structural modulation and physical properties of cobalt-doped layered La_(2)M_5As_(3)O_(2)(M=Cu,Ni)c
We investigate the structural variation and physical properties of layered La2M_5As3O2(M=Cu,Ni)compound upon Co doping.I......
Small changes in the length of diselenide bond-containing linkages exert great influences on the ant
Homodimeric prodrug-based self-assembled nanoparticles,with carrier-free structure and ultrahigh drug loading,is drawing......
A systematic theoretical investigation has been studied on Fujiwara-Moritani reaction between 3-methoxyacetanilide with ......
Functional groups in the molecule play an important role in the molecular o rganization process.To reveal the influence ......
Phenolic compounds are a class of hazardous substances for human.To study the antiradical potential of a series of pheno......
褐煤的 humilith 系列，长火焰的煤，煤气的煤，胖煤， coking 煤，瘦煤，瘦煤并且被 FIR-1600 红外线的 spectrophotorneter 白煤测量。在 vit......
Optimum metallic-bond scheme: Theoretical study ofgeometric structures for ground-state sodium clust
We present an optimum metallic-bond scheme to study the geometric structures of sodium clusters Nan (n≤15) systematical......
In separation processes,hydrogen bonding has a very significant effect on the efficiency of isolation of acetic acid (HO......
This paper presents an efficient algorithm for energy gradients in valence bond self-consistent field(VBSCF) method with......
The characteristics and structures of single-electron halogen bond complexes H3C…Br-Y(Y = H,CCH,CN,NC,C2H3) have been i......
Halide anions X-are known to show a decreasing proton affinity(PA),as X descends in the periodic table along series F,Cl......
The synthesis of a novel photographic spectral sensitizer containing silicon-carbon double bondwhich was characterized b......
The geometries and bonding characteristics of the first-row transition-metal carbene cations MCH<sub>2</sub><sup>+</sup>......
The open-close mechanism of M2 channel protein in influenza A virus:A computational study on the hyd
The M2 protein from influenza A virus is a tetrameric ion channel. It was reported that the permeation of the ion channe......
Influence of steric and intramolecular inductive effects on the variable trends in R-X (R=Alkyl) bon
The question 'why are the variation trends of R-X bond dissociation energy different?' is answered. The R-X bond......
Hydrogen bonding interactions between ethylene glycol and water:density,excess molar volume,and spec
Studies of the density and the excess molar volume of ethylene glycol (EG)-water mixtures were carried out to illustrate......
The metal-carbon bonds in metal-carboranyl and metal-carboryne complexes behave very differently from those in classical......
Experimental studies of superhard materials carbon nitride CNx prepared by ion-beam synthesis method
Formation of superhard materials carbon nitride CNt by using ion-beam synthesis method is reported.100-keV high-dose N+ ......
SYNTHESIS OF 1-SUBSTITUTED-BENZENESULFO-NYL-3-(4’,6’-DISUBSTITUTED-s-TRIAZIN.2’-YL)-1,3,2-DIAZAPHOSP
The reaction of N-substituted-benzenesulfonyl-N’-（4,6-disubstituted-s-triazin-2-yl）-ethylene diamines with tri（dialkylamin......
[η<sub>5</sub>-OH<sub>3</sub>C（O）C<sub>5</sub>H<sub>4</sub>Cr（CO）<sub>2</sub>]<sub>2</sub>S 1, [η<sup>5</sup>-CH<sub>3</su......
Synthesis, Crystal Structure, and Biological Activity of N-((1-cyclohexyl-1H-tetrazol-5-yl)(5-methyl
The title compound N-((1-cyclohexyl-1H-tetrazol-5-yl)(5-methyl-1,2,3-thiadiazol-4-yl) methyl)-4-nitrobenzenamine (C17H20......
Syntheses, Crystal Structures and Properties of Two Metal-organic Complexes Based on 5-(4-Pyridyl)-m
Two new metal-organic frameworks, [Co3L2(NO2)2 (H2O)2]n (1) and{[Ni(L)(H2O)5 ]·(H2O)2 ·DMF}n(2, H2 L = 5-(4-pyridyl)-m......
The lack of suitable lignin model compound limits the understanding of the characteristics of lignin, and hence hinders ......
Synthesis, Crystal Structure and DNA-binding Property of Bismuth(Ⅲ) Complex with p-Hydroxy-phenylace
A bismuth(Ⅲ) complex 1 (H2-4,4’-bipy)Bi(HPPA)5(H2PPA)·4H2O (H2PPA = p-hydroxy-phenylacetic acid, 4,4’-bipy = 4,4 -bi......
Studies on the mechanism of extraction of copper by antiisomer of 2-hydroxy-4(5)-substituted benzoph
The composition of the coordination compound formed by the anti-isomers of 2-hy-droxy-4(5)-substituted benzophenone oxi......
K3 [Fe(CN)6] and KFe[Fe(CN)6] are classical coordination compounds. However, the mechanism of decomposition reactions h......
CRYSTAL AND MOLECULAR STRUCTURE OF THE ADDUCT OF BIS [4, 4, 4-TRIFLUORO-1-(2-THIENYL) BUTANEDIONE-1,
The title complex [Ni(TTA)2(DMSO)] (TTA = thenoyl trifluo-roacetone, DMSO=dimethyl sufloxide) belongs to triclinic, spa......
Zirconium monohydride bonded to the framework oxygen of MCM-41 surface was prepared by the reaction of tetraneopentyl zi......
Fifteen isomers of [Si,N,C,O]2+ system are obtained at UB3LYP/6-311G(d) and UCCSD(T)/6-311+G(2df) (single-point) levels......
Charge Order Instability in Doped Resonating Valence Bond State and Magnetic Orbits from Reconstruct
Recent experiments reveal incommensurate charge density wave(CDW)and quantum oscillations(QO)in the pseudogap phase ......
Construction of Organic Optoelectronic Molecules Based on Highly Efficient and Selective C-H Bond Tr
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Planar chiral ferrocenes have received great attention in view of their increasing importance in the fields of asymmetri......
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Stimuli-responsive compounds are important functional materials that are useful in a wide range of applications includin......
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The development of convenient and efficient methods for the synthesis of polycyclic aromatic compounds has attracted con......
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C-H Bond Functionalization of Azoxybenzenes--ortho-Acylation,halogenation,Acetoxylation and Alkoxyla
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Divergent and Stereoselective Synthesis of β-Silyl-α-Amino Acids via Pd-Catalyzed Intermolecular Sil
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Copper-catalyzed cross coupling of by direct C-H Bond Activation of Formamides:a new approach for Sy
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Simulation Self-assembling process of Halogen Bond and Pnicogen Bond byPolarizable Ellipsoidal Force
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随着互联网规模的飞速发展,如何高效合理地使用现有的网络资源,保障网络健康良好地运行,已经成为一个研究的热点问题.网络行为学的......
First Step in Dissociation Process in the Gas Phase for Small Molecules with Neutral Atoms: Applicat
Dissociations in the gas phase of small molecules have been intensively studied and dissociation energies of various gas......
