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131.
Fujii K Soejima Y Kyoshoin Y Fukuda S Kanzaki R Umebayashi Y Yamaguchi T Ishiguro S Takamuku T 《The journal of physical chemistry. B》2008,112(14):4329-4336
The liquid structure of 1-ethyl-3-methylimidazolium bis-(trifluoromethanesulfonyl) imide (EMI(+)TFSI(-)) has been studied by means of large-angle X-ray scattering (LAXS), (1)H, (13)C, and (19)F NMR, and molecular dynamics (MD) simulations. LAXS measurements show that the ionic liquid is highly structured with intermolecular interactions at around 6, 9, and 15 A. The intermolecular interactions at around 6, 9, and 15 A are ascribed, on the basis of the MD simulation, to the nearest neighbor EMI(+)...TFSI(-) interaction, the EMI(+)...EMI(+) and TFSI(-)...TFSI(-) interactions, and the second neighbor EMI+...TFSI(-) interaction, respectively. The ionic liquid involves two conformers, C(1) (cis) and C(2) (trans), for TFSI(-), and two conformers, planar cis and nonplanar staggered, for EMI(+), and thus the system involves four types of the EMI(+)...TFSI(-) interactions in the liquid state by taking into account the conformers. However, the EMI(+)...TFSI(-) interaction is not largely different for all combinations of the conformers. The same applies alsoto the EMI(+)...EMI(+) and TFSI(-)...TFSI(-) interactions. It is suggested from the 13C NMR that the imidazolium C(2) proton of EMI(+) strongly interacts with the O atom of the -SO(2)(CF(3)) group of TFSI(-). The interaction is not ascribed to hydrogen-bonding, according to the MD simulation. It is shown that the liquid structure is significantly different from the layered crystal structure that involves only the nonplanar staggered EMI(+) and C(1) TFSI(-) conformers. 相似文献
132.
Hiroshi Tajima Toshio Masuda Toshinobu Higashimura 《Journal of polymer science. Part A, Polymer chemistry》1987,25(8):2033-2042
Polymerization of HC?CSiMe3 homologues (HC?CSiMe2R; R = n-C6H13, CH2CH2Ph, CH2Ph, Ph, and t-Bu) was studied by use of W and Mo catalysts. W catalysts provided polymers in good yields from all these monomers. Mo catalysts gave mainly a polymer from HC?CSiMe2–t-Bu, but virturally only cyclotrimers from sterically less croweded monomers (R = n-C6H13, CH2CH2Ph, CH2Ph, and Ph). Polymers with flexible R groups (n-C6H13, CH2CH2Ph, and CH2Ph) were totally soluble, their number-average molecular weights being 7000–18,000. Polymers with inflexible R groups (Ph and t-Bu) were partly insoluble. Every polymer was a yellow rubber or powder, and had the structure, \documentclass{article}\pagestyle{empty}\begin{document}$ \rlap{--} [{\rm CH} = {\rm C}\left( {{\rm SiMe}_{\rm 2} {\rm R}} \right)\rlap{--} ]_n $\end{document}. The results were compared with the polymerization and polymer of HC?CSiMe3. 相似文献
133.
Prof. Dr. Yoshinobu Isono Toshihiro Kamohara Atsushi Takano Toshio Kase 《Rheologica Acta》1997,36(3):245-251
Simultaneous measurements of stress relaxation and differential dynamic modulus were made at 268 K over a time scale of 10 to 1045 s for nearly monodisperse polybutadiene (M
w
=2.2x105, 1,2-structure 70%, M
e
=3600) and also one having coarse cross-linking (M
c
=29000). Static shear strain ranged from 0.1 to 2.0. In a long-time region (t>
k
), the relaxation modulus G (; t) could be expressed by the product G (0; t) h (y). The observed h() agreed well with the Doi-Edwards theory without use of IA approximation. Both the cured and uncured samples showed initial drop of the differential storage modulus G (), ; t) followed by gradual recovery, but did not attain the value before shearing G (, ; t) for the uncured sample showed smaller values than that for the cured one in the whole measured time scale at the higher strain, confirming the two origins of nonlinear viscoelasticity of well entangled polymer; induced chain anisotropy and induced decrement in entanglement density. G (, ; t) curves for the cured sample agreed well with the BKZ predictions. But the curves for the uncured sample agreed well with the BKZ prediction only at the time scale of t<
k
. BKZ prediction showed significant upward deviations at t>
k
. Such the differences are discussed in terms of the two origins.Dedicated to Prof. John D. Ferry on the occasion of his 85th birthday. 相似文献
134.
Ab initio molecular orbital calculations have been performed to investigate the structures and quantum effects of the proton motion in NH(3):HCl:(H(2)O)(n) (n = 0-3) clusters using a MP2/aug-cc-pVDZ level of theory. Three new stable structures and one transition-state structure are investigated for these clusters. The detailed analyses of the intermolecular interactions suggest that three-body interactions play an important role to determine the relative stability in each size of cluster. The quantum effects of the proton motion result in frequency shifts for proton-stretching modes. Our one-dimensional and two-dimensional models fairly closely reproduce the experimental proton-stretching vibrational frequency of the NH(3):HCl cluster. The most stable isomer for n = 1 has a proton-transfer structure, which is weakened by the quantum effects of the proton motion. 相似文献
135.
Effect of refraction index and thickness of the light guide in the position-sensitive gamma-ray detector using compact PS-PMTs 总被引:1,自引:0,他引:1
Koji Inoue Haruo Saito Yasuyuki Nagashima Toshio Hyodo Yasuyoshi Nagai Shinichi Muramatsu Shota Nagai 《Radiation Physics and Chemistry》2000,58(5-6):763-766
We constructed a position-sensitive gamma-ray detector consisting of an array of BGO scintillators, a light guide and compact PS-PMTs. The effects of refractive index and thickness of the light guide of a glass plate on the detector performance were investigated. A light guide with higher refractive index and smaller thickness is found better for a good spatial resolution. 相似文献
136.
137.
138.
Total synthesis of fumitremorgin B 总被引:2,自引:0,他引:2
Total synthesis of fumitremorgin B, one of the potent tremorgic mycotoxins, was achieved in 7 steps. 相似文献
139.
Yusaku Iwasawa Tetsuroh Shirasawa Takehiro Nojima Toshio Takahashi Masuaki Matsumoto Koichi Akimoto Hiroshi Sugiyama 《Applied Surface Science》2008,254(23):7803-7806
The structure of buried Si(1 1 1)-5 × 2-Au capped with amorphous Si was investigated using surface X-ray diffraction. It was found that the 5 × 2 structural periodicity is kept under the amorphous Si from the in-plane measurement. Furthermore, the intensity variation along the fractional-order rod indicates that Au atoms are located almost on the same plane. 相似文献
140.
Shinobu Onoda Toshio Hirao Takeshi Ohshima Hisayoshi Itoh 《Radiation Physics and Chemistry》2009,78(12):1116-1119
The effect of radial ion-track distribution on the transient current in semiconductors caused by a high-energy heavy ion strike was studied. Reasonable agreement was observed in experimental and calculated transient currents for ion energies ranging from several to several hundred MeV when the radius of the ion track used in the numerical simulations was shorter or equivalent to that of the penumbra radius. 相似文献