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111.
A Th(IV) compound, [Th(TFSI)4(HTFSI)].2H2O [where TFSI = N(SO2CF3)2], has been synthesized and characterized using elemental analysis, thermogravimetric analysis, and vibrational spectroscopy. The analysis suggests that the TFSI anion coordinates to the metal center via the sulfonyl oxygens as well as provides evidence for the coordination of HTFSI. The voltammetric behavior of this compound has been studied in the room-temperature ionic liquid [Me3NnBu][TFSI], and results show that Th(IV) is reduced to Th(0) in this ionic liquid in a single reduction step. Analysis of cyclic voltammograms shows that an insoluble product is being formed at the electrode surface, which is attributed to the formation of ThO2 by reaction with water. The E0 value for the reduction of Th(IV) to Th(0) has been determined to be -2.20 V (vs Fc+/Fc; -1.80 V vs SHE). A comparison of this E0 value with those obtained for Th(IV) reduction in a LiCl-KCl eutectic (400 degrees C), water, and nonaqueous solvents shows that the reduction in [Me3NnBu][TFSI] is easier to accomplish than that in these other solvents. 相似文献
112.
Yang J Bremer PJ Lamont IL McQuillan AJ 《Langmuir : the ACS journal of surfaces and colloids》2006,22(24):10109-10117
The adhesion of bacteria to metal oxide and other mineral surfaces may involve bacterial siderophores, many of which contain hydroxamic acid (Ha) ligands. The adsorption behavior of the siderophore-related ligands acetohydroxamic acid, N-methylformohydroxamic acid, N-methylacetohydroxamic acid, and 1-hydroxy-2-piperidone on titanium dioxide thin films has been investigated using in situ ATR-IR spectroscopy with variation of concentration and pH. All the ligands were found to adsorb strongly on the TiO2 surface as hydroxamate ions and form bidentate surface complexes. Vibrational modes involving C=O stretching and N-O stretching of these ligands were assigned by comparing observed IR spectra with those calculated by the density functional method at the B3LYP/6-31+G(d) level. Calculated spectra of the complex [Ti(Ha)(OH)4]-, used to model the TiO2 surface, were compared with observed spectra of adsorbed hydroxamic acids. These results suggest that hydroxamic acid ligands in siderophores would be expected to bind to metal (oxide) and mineral surfaces during bacterial adhesion processes. 相似文献
113.
Perkin S Chai L Kampf N Raviv U Briscoe W Dunlop I Titmuss S Seo M Kumacheva E Klein J 《Langmuir : the ACS journal of surfaces and colloids》2006,22(14):6142-6152
We have measured normal and lateral interactions across a range of different liquids between mica surfaces using a surface force balance (SFB). The mica surfaces were prepared either by melt cutting using Pt wire and standard procedures in our laboratories or by tearing sheets (that had not been exposed to Pt) off from a freshly cleaved sheet of mica. AFM micrographs revealed the substantial absence of Pt nanoparticles on the melt cut and torn-off mica surfaces. Normal-force versus surface-separation (D) profiles and shear force versus D measurements for purified water (no added salt), for concentrated aqueous NaCl solutions, and for cyclohexane revealed that in all cases the behavior of the highly confined liquids between melt-cut and between torn-off mica sheets was identical within experimental scatter. These results demonstrate directly that interactions measured between melt-cut mica surfaces as routinely prepared using established procedures in our laboratories and in other laboratories are free of the effect of any Pt contamination. 相似文献
114.
Hnyk D Bühl M Holub J Hayes SA Wann DA Mackie ID Borisenko KB Robertson HE Rankin DW 《Inorganic chemistry》2006,45(15):6014-6019
The molecular structures of the three heterodecaboranes arachno-6,9-C2B8H14, arachno-6,9-N2B8H12, and arachno-6,9-Se2B8H10 have been determined by ab initio MO theory. In addition, the structure of arachno-6,9-C2B8H14 was experimentally determined using gas-phase electron diffraction (GED). The accuracy of all four of these structures has been confirmed by the good agreement of the (11)B chemical shifts calculated at the GIAO-MP2 level with the experimental values. A comparison of the GIAO-HF and GIAO-MP2 methods shows that for these heteroborane clusters, electron correlation effects on the computed delta((11)B) values are quite substantial and that it is necessary to go beyond the HF level in the NMR computation. 相似文献
115.
Deschamps M Campbell ID 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2006,178(2):206-211
In experiments performed on protonated proteins at high fields, 80% of the NMR spectrometer time is spent waiting for the 1H atoms to recover their polarization after recording the free induction decay. Selective excitation of a fraction of the protons in a large molecule has previously been shown to lead to faster longitudinal relaxation for the selected protons [K. Pervushin, B. Vögeli, A. Eletsky, Longitudinal 1H relaxation optimization in TROSY NMR spectroscopy, J. Am. Chem. Soc. 124 (2002) 12898–12902; P. Schanda, B. Brutscher, Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds, J. Am. Chem. Soc. 127 (2005) 8014–8015; H.S. Attreya, T. Szyperski, G-matrix Fourier transform NMR spectroscopy for complete protein resonance assignment, Proc. Natl. Acad. Sci. USA 101 (2004) 9642–9647]. The pool of non-selected protons acts as a “thermal bath” and spin-diffusion processes (“flip-flop” transitions) channel the excess energy from the excited pool to the non-selected protons in regions of the molecule where other relaxation processes can dissipate the excess energy. We present here a sensitivity enhanced HSQC sequence (COST-HSQC), based on one selective E-BURP pulse, which can be used on protonated 15N enriched proteins (with or without 13C isotopic enrichment). This experiment is compared to a gradient sensitivity enhanced HSQC with a water flip-back pulse (the water flip-back pulse quenches the spin diffusion between 1HN and 1Hα spins). This experiment is shown to have significant advantages in some circumstances. Some observed limitations, namely sample overheating with short recovery delays and complex longitudinal relaxation behaviour are discussed and analysed. 相似文献
116.
Influence of Rare Earth Ho3+ Doping on Structural,Microstructure and Magnetic Properties of ZnO Bulk and Thin Film Systems
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Ghulam Murtaza Rai Muhammad Azhar Iqbal Yongbing Xu Iain Gordon Will Wen Zhang 《化学物理学报(中文版)》2011,24(3):353-357
We have investigated the doping behavior of rare earth element holmium (Ho3+) in ZnO semiconductor. The structural, microstructure, and magnetic properties of Zn1-xHoxO (x=0.0, 0.04, and 0.05) thin films deposited on Si(100) substrate by thermal evaporation technique were studied. The ceramic targets were prepared by conventional solid state ceramic technique. The pallets used as target were final sintered at 900 oC in the presence of N2 atmosphere. The experimental results of X-ray diffraction (XRD) spectra, surface morphology, and magnetic properties show that the Ho3+ doped ZnO thin films has a strong influence on the materials properties. The higher angle shift in peak position and most preferred (101) orientation were observed in XRD pattern. These spectra confirmed the substitution of Ho3+ in ZnO lattice. The surface morphology and stoichiometry for both bulk and thin films were analyzed by scanning electron microscopy and energy dispersive spectroscopy. It was observed that grain size decreases with the increase of Ho3+. Room temperature ferromagnetism was observed for Zn0.95Ho0.05O films. The ferromagnetism might be attributed to the substitution of Ho ions for Zn2+ in ZnO lattices. 相似文献
117.
118.
Nielsen CB Ashraf RS Schroeder BC D'Angelo P Watkins SE Song K Anthopoulos TD McCulloch I 《Chemical communications (Cambridge, England)》2012,48(47):5832-5834
A series of benzotrithiophene-containing random terpolymers for polymer solar cells is reported. Through variations of the two other components in the terpolymers, the absorption profile and the frontier energy levels are optimized and maximum power conversion efficiencies are nearly doubled (5.14%) relative to the parent alternating copolymer. 相似文献
119.
Schroeder BC Ashraf RS Thomas S White AJ Biniek L Nielsen CB Zhang W Huang Z Tuladhar PS Watkins SE Anthopoulos TD Durrant JR McCulloch I 《Chemical communications (Cambridge, England)》2012,48(62):7699-7701
Thieno[3,2-b]thienobis(silolothiophene), a new electron rich hexacyclic monomer has been synthesized and incorporated into three novel donor-acceptor low-bandgap polymers. By carefully choosing the acceptor co-monomer, the energy levels of the polymers could be modulated and high power conversion efficiencies of 5.52% were reached in OPV devices. 相似文献
120.
Fei Z Ashraf RS Huang Z Smith J Kline RJ D'Angelo P Anthopoulos TD Durrant JR McCulloch I Heeney M 《Chemical communications (Cambridge, England)》2012,48(24):2955-2957
We report the first synthesis of a fused germaindacenodithiophene monomer and its polymerisation with 2,1,3-benzothiadiazole by Suzuki polycondensation. The resulting polymer, PGeTPTBT, is semicrystalline, despite the presence of four bulky 2-ethylhexyl groups. Blends with P(70)CBM afford solar cells with efficiencies of 5.02%. 相似文献