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41.
42.
The radioactive decay of the isotopes 254-256Lr and their daughter products was investigated by means of α , prompt α -γ and delayed conversion electron-γ coincidence
spectroscopy. The isotopes were produced using the reaction 48Ca + 209Bi . 相似文献
43.
本文报道了22个新的4,5-二氧-(2-硫)-1,3,2,4-二氮二磷杂环戊烷化合物。对合成路线和条件作了初步探讨。产物的结构经IR、1H和31PNMR及元素分析得到证实,测定了部分产物的MS。在31PNMR谱中产物的顺式和反式异构体均得到了指认。部分产物的生物活性初步测定结果表明,它们具有一定的除草和抑菌活性。 相似文献
44.
A. Touimi Benjelloun Abdelali Daoudi Gaston Berthier Christian Rolando 《Journal of Molecular Structure》1996,360(1-3):127-134
Quantum-mechanical calculations have been performed on various isomers of the (CuNO)+ system. A 2Π ground state is found for the linear CuNO+ and CuON+ isomers and a 2A′ state for the bent CuNO+ and CuON+ isomers. Energy calculations indicate that the linear CuNO+ structure is the most stable, the bent CuNO+ and CuON+ and the linear CuON+ structures are at 0.86 eV, 0.99 eV and 1.04 eV above this respectively. In the CuNO+ → CuON+ interconversion between the linear isomers, three transition states are involved, whereas the bent CuNO+ isomer is found to be an intermediate species. The isomerization barriers, dissociation energies, equilibrium geometries and vibration frequencies are given for all isomers in their ground and first excited states. 相似文献
45.
EuMO3的XPS和Mossbauer谱研究 总被引:3,自引:0,他引:3
对EuMO3进行了XRD、XPS、IR和^151Eu Mossbauer谱测量,研究了晶胞参数与离子半径、Eu4d光电子峰的结合能、同质异能移位的关系。结果表明,Eu4d结合能和同质异能移位均与B位离子M的变化有关,且结合能与同质异能移位成线性关系。 相似文献
46.
用1D及2D NMR技术(COSY,TOCSY,HMQC及HMBC)归属了合成抗孕酮新药RU-486中间体3,3-乙撑二氧-5α,10α及5β,10β-环氧-Δ9(11),雌烯-17α(1-丙炔基)-17β-羟基的1H和13C NMR谱线. 相似文献
47.
Debaprasad Mandal 《Journal of organometallic chemistry》2005,690(16):3746-3754
Pyrazine (Pz) bridged benzyl dicobaloximes [ArCH2Co(dioxime)2]2-μ-Pz [dioxime = dmgH, dpgH] have been synthesized and characterized with 1H and 13C NMR. The complexes have been synthesized by a simple procedure in one-pot directly from the corresponding benzyl aqua cobaloxime. In the crystal structure of [PhCH2Co(dpgH)2]2-μ-Pz, two cobaloxime units are in eclipsed form whereas they were completely staggered in the reported [EtCo(dpgH)2]2-μ-Pz. This is due to the π-π interaction between the axial benzyl group and phenyl ring of the equatorial dpgH group. Both cis and trans isomer crystallized together in the crystal structure of [PhCH2Co(dpgH)(dmgH)]2-μ-Pz. The cyclic voltammetry study in [PhCH2Co(dioxime)2]2-μ-Pz [dioxime = dmgH, dpgH] shows two cobalt center mixed together due to electron delocalization through pyrazine and behaves like a monocobaloxime and the reduction potentials are much higher than the monocobaloximes. 相似文献
48.
Samuel P. Kusumocahyo Kimio Sumaru Toshiyuki Kanamori Takashi Iwatsubo Toshio Shinbo 《Journal of membrane science》2004,230(1-2):171-174
An ultrathin polyion complex (PIC) layer containing β-cyclodextrin (β-CD) was formed on the surface of a charged base membrane. Thus, a positively charged copolymer containing β-CD was synthesized by the radical copolymerization of β-CD monomer and allylamine, and was used to modify the surface of a Nafion membrane containing negatively charged fixed ions. Electron spectroscopy for chemical analysis (ESCA) confirmed the presence of the copolymer on the surface of the Nafion membrane due to the formation of a PIC layer. The ability of the membrane to separate organic isomer mixtures was tested by the pervaporation technique, using butanol isomer mixtures as the feed model. The membrane exhibited a good selectivity toward butanol isomers, indicating the effectiveness of β-CD as a selective fixed carrier for the isomers. 相似文献
49.
De-zhi Sun Ling Li Xiao-mei Qiu Min Liu Bao-lin Yin 《Journal of solution chemistry》2006,35(11):1537-1549
Interactions between CDs with three substituted phenols, paeonol (Pae), acetovanillone (Ace) and 2-hydroxyl-5-methoxy-acetophone (Hma), which are isomers, have been determined by isothermal titration calorimetry (ITC) and 1H NMR in aqueous solution at 298.2 K. Both the binding thermodynamics and 1H NMR spectra show that the interaction between α-cyclodextrin (α-CD) molecule and each guest molecule is extremely weak. The thermodynamic parameters indicate that the binding processes of β-cyclodextrin (β-CD) with the isomers are mainly entropy driven and that β-CD binds with Pae or Ace in 1:1 stoichiometry, whereas with Hma binds in 1:1 and 2:1 stoichiometries. The thermodynamic parameters also suggest that γ-cyclodextrin (γ-CD) binds each isomer in the same 1:1 stoichiometry. The binding processes of Pae and Hma with γ-CD are enthalpy driven whereas Ace with γ-CD is predominantly driven by entropy. The 1H NMR spectra reveal that the three isomers were trapped into the torus cavity of the β-CD molecule from the narrow side during the binding process. Pae penetrates into the γ-CD cavity from the primary rim of the macrocycle whereas Ace does so from the secondary rim, but Hma appears not interact with the internal cavity of γ-CD at all. 相似文献
50.
Shan Xi Tian 《Theoretical chemistry accounts》2006,115(4):291-297
The low-lying isomers of Al2H4 and their anions are investigated with the hybrid density functional B3LYP, the coupled-cluster CCSD and CCSD(T) methods,
and the electron propagator theory. The positive adiabatic electron affinities 5,798 and 10,112 cm−1 are predicted for the neutral C2v and D2d symmetric isomers, respectively. The D2h symmetric anion is more stable by 852 cm−1 than the C2v symmetric anion. The photodetachment spectra for Al2H4− anions at the C2v and D2h symmetries are simulated on the basis of the Franck–Condon factor calculations, indicating a reasonable way to study the
transition state of the intramolecular torsion process 相似文献