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排序方式: 共有261条查询结果,搜索用时 11 毫秒
1.
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Quantitative H–Al distances in acid sites of two zeolites with MFI and IFR framework topology were obtained by numerical simulation of 1H{27Al} rotational echo adiabatic passage double resonance (REAPDOR) experiments. A 27Al offset-dependent data set yields for each resolved 1H NMR line a corresponding nuclear electric quadrupole coupling constant of the neighboring 27Al site. This information is used for analyzing a second data set for on-resonance irradiation, where the dipolar evolution time (number of rotor cycles) was varied, to yield the 1H–27Al dipolar coupling constant. Numerical simulations indicate that the REAPDOR method does not depend significantly on the polar angles, defining the orientation of the electric field gradient tensor of 27Al with respect to the Al–H dipolar vector. In contrast, the transfer of populations in double resonance sequence is sensitive to these angles, and it can be thus used to measure them. 相似文献
3.
R. Resel M. Oehzelt O. Lengyel T.U. Schülli G. Hlawacek C. Teichert G. Koller 《Surface science》2006,600(19):4645-4649
A para-sexiphenyl monolayer of near up-right standing molecules (nominal thickness of 30 Å) is investigated in-situ by X-ray diffraction using synchrotron radiation and ex-situ by atomic force microscopy. A terrace like morphology is observed, the step height between the terraces is approximately one molecular length. The monolayer terraces, larger than 20 μm in size, are extended along the [0 0 1] direction of the TiO2(1 1 0) substrate i.e. along the Ti-O rows of the reconstructed substrate surface. The structure of the monolayer and its epitaxial relationship to the substrate is determined by grazing incidence X-ray diffraction. Extremely sharp diffraction peaks reveal high crystalline order within the monolayer, which was found to have the bulk structure of sexiphenyl. The monolayer terraces are epitaxially oriented with the (0 0 1) plane parallel to the substrate surface (out-of-plane order). Four epitaxial relationships are observed. This in-plane alignment is determined by the arrangement of the terminal phenyl rings of the sexiphenyl molecules parallel to the oxygen rows of the substrate. 相似文献
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M. Mintas Z. Orhanović K. Jakopčić H. Koller G. Stühler A. Mannschreck 《Tetrahedron》1985,41(1):229-233
N-Aryl-4-pyridones 1–6 were synthesized by condensation of the corresponding 4-pyrone with anilines. The enrichment of the enantiomers was achieved by liquid chromatography on triacctylcellulose, enantiomeric purities of(+)-1 and (+ )-2 being measured by 1H-NMR in the presence of an optically active auxiliary. Barriers to partial rotation about the C-N bond in 1-4 were determined and compared with corresponding biphenyls. 相似文献
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7.
Kraka E Cremer D Koller J Plesnicar B 《Journal of the American Chemical Society》2002,124(28):8462-8470
The HOOO(-) anion (1) can adopt a triplet state (T-1) or a singlet state (S-1), where the former is 9.8 kcal/mol (DeltaH(298) = 10.3 kcal/mol) more stable than the latter. S-1 possesses a strong O-OOH bond with some double bond character and a weakly covalent OO-OH bond (1.80 A) according to CCSD(T)/6-311++G(3df,3pd) calculations (the longest O-O bond ever found for a peroxide). In aqueous solution, S-1 adopts a geometry closely related to that of HOOOH (OO(O), 1.388 A; (O)OO(H), 1.509 A; tau(OOOH), 78.3 degrees ), justifying that S-1 is considered the anion of HOOOH. Dissociation into HO anion and O(2)((1)Delta(g)) requires 15.4 (DeltaH(298) = 14.3; DeltaG(298) = 8.9) kcal/mol. Structure T-1 corresponds to a van der Waals complex between HO anion and O(2)((3)Sigma(g)(-)) having a binding energy of 2.7 (DeltaH(298) = 2.1) kcal/mol. Modes of generating S-1 in aqueous solution are discussed, and it is shown that S-1 represents an important intermediate in ozonation reactions. 相似文献
8.
G Engelhardt H Koller P Sieger W Depmeier A Samoson 《Solid state nuclear magnetic resonance》1992,1(3):127-135
The 27Al NMR spectra of calcium tungstate aluminate sodalite (CAW), Ca8[Al12O24](WO4)2, and the 23Na NMR spectra of sodium aluminosilicate sodalites of general composition Na9[Si6Al6O24]A2 with A = B(OH)4- (SBS), SCN- (SRS) and A2 = SO4(2-) (SSS), MoO4(2-) (SMS) have been measured using magic-angle spinning (MAS) and double-rotation (DOR) techniques. Rotor synchronized pulse excitation is applied in the DOR experiments. Dramatic line narrowing is observed in the DOR spectra of all samples. The 27Al DOR NMR spectra of CAW measured at 9.4 and 11.7 T and spinning rates of 800-1150 Hz of the outer and 5 kHz of the inner rotor show seven sharp central lines accompanied by a manifold of spinning sidebands. These lines correspond to the seven crystallographically inequivalent Al sites of the CAW framework derived from X-ray structure analysis. From the difference of the line positions in the 9.4 and 11.7 T spectra the quadrupole coupling constant, QCC, quadrupole induced shift, sigma qs, and isotropic chemical shift, delta cs, of each Al site have been calculated. QCC values in the range of 5 to 9 MHz are obtained which reflect the strong tetragonal distortion of the AlO4 tetrahedra in CAW. delta cs shows only small changes in the range between 74.4 and 77.2 ppm. A tentative assignment of all lines to the distinct Al sites is derived from the correlation between QCC and a "shear strain parameter" describing quantitatively the distortion of the AlO4 tetrahedra.(ABSTRACT TRUNCATED AT 250 WORDS) 相似文献
9.
K. Koller D. H. Schiller D. Wähner 《Zeitschrift fur Physik C Particles and Fields》1982,12(3):273-281
We discuss the forward-backward asymmetry and the polarization (mean helicity) of the quark, antiquark and gluon ine ? e +→γ, \(e^ - e^ + \to \gamma , {\rm Z}^0 \to q\bar qg\) , and of the inclusively produced hadrons (baryons or vector mesons) belonging to the most energetic jet. In the energy range of present interest we find substantial asymmetries (up to 30%) and polarizations (up to 15%), with partons (predominantly antiquarks) of positive helicity emitted preferentially in the forward direction. 相似文献
10.
We show how the Q2 evolution of gluon jets can be used to provide indirect but strong evidence for the three-gluon vertex of QCD. We propose looking for this evolution in the hadrons decay of successive 1 3S1 quarkonium states. The results apply to other processes if G-jets can be isolated. 相似文献