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排序方式: 共有324条查询结果,搜索用时 31 毫秒
61.
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Norimitsu Yoshida Sho Terazawa Kotaro Hayashi Tomonari Hamaguchi Hironori Natsuhara Shuichi Nonomura 《Journal of Non》2012,358(17):1987-1989
Effects of deposition conditions on the structure of microcrystalline silicon carbide (μc-SiC) films prepared by hot-wire chemical vapor deposition (hot-wire CVD) method have been investigated. It is found from X-ray diffraction patterns of the film that a diffraction peak from crystallites from hexagonal polytypes of SiC is observed in addition to those of 3 C-SiC crystallites. This result is obtained in the film under a narrow deposition conditions of SiH3CH3 gas pressure of 8 Pa, the H2 gas pressure of 80–300 Pa and the total gas pressure of 40–300 Pa under fixed substrate and filament temperatures employed in this study. Furthermore, the grain size of hexagonal crystallites (about 20 nm) on c-Si substrates becomes larger than that of 3 C-SiC crystallites (about 10 nm) for the films deposited under the total gas pressure of 36–88 Pa. The fact that microcrystalline hexagonal SiC can be deposited under limited deposition conditions could be interpreted in the context of a result for c-SiC polytypes prepared by thermal CVD method. 相似文献
64.
A Merck molecular force field classical potential combined with Poisson-Boltzmann electrostatics (MMFF/PB) has been used to estimate the binding free energy of seven guest molecules (six tertiary amines and one primary amine) into a synthetic receptor (acyclic cucurbit[4]uril congener) and two benzimidazoles into cyclic cucurbit[7]uril (CB[7]) and cucurbit[8]uril (CB[8]) hosts. In addition, binding enthalpies for the benzimidazoles were calculated with density functional theory (DFT) using the B3LYP functional and a polarizable continuum model (PCM). Although in most cases the MMFF/PB approach returned reasonable agreements with the experiment (±2 kcal/mol), significant, much larger deviations were reported in the case of three host-guest pairs. All four binding enthalpy predictions with the DFT/PCM method suffered 70% or larger deviations from the calorimetry data. Results are discussed in terms of the molecular models used for guest-host complexation and the quality of the intermolecular potentials. 相似文献
65.
Yoshida K Iwata K Nishiyama Y Kimura Y Hamaguchi HO 《The Journal of chemical physics》2012,136(10):104504
Vibrational cooling rate of the first excited singlet (S(1)) state of trans-stilbene and bulk thermal diffusivity are measured for seven room temperature ionic liquids, C(2)mimTf(2)N, C(4)mimTf(2)N, C(4)mimPF(6), C(5)mimTf(2)N, C(6)mimTf(2)N, C(8)mimTf(2)N, and bmpyTf(2)N. Vibrational cooling rate measured with picosecond time-resolved Raman spectroscopy reflects solute-solvent and solvent-solvent energy transfer in a microscopic solvent environment. Thermal diffusivity measured with the transient grating method indicates macroscopic heat conduction capability. Vibrational cooling rate of S(1) trans-stilbene is known to have a good correlation with bulk thermal diffusivity in ordinary molecular liquids. In the seven ionic liquids studied, however, vibrational cooling rate shows no correlation with thermal diffusivity; the observed rates are similar (0.082 to 0.12 ps(-1) in the seven ionic liquids and 0.08 to 0.14 ps(-1) in molecular liquids) despite large differences in thermal diffusivity (5.4-7.5 × 10(-8) m(2) s(-1) in ionic liquids and 8.0-10 × 10(-8) m(2) s(-1) in molecular liquids). This finding is consistent with our working hypothesis that there are local structures characteristically formed in ionic liquids. Vibrational cooling rate is determined by energy transfer among solvent ions in a local structure, while macroscopic thermal diffusion is controlled by heat transfer over boundaries of local structures. By using "local" thermal diffusivity, we are able to simulate the vibrational cooling kinetics observed in ionic liquids with a model assuming thermal diffusion in continuous media. The lower limit of the size of local structure is estimated with vibrational cooling process observed with and without the excess energy. A quantitative discussion with a numerical simulation shows that the diameter of local structure is larger than 10 nm. If we combine this lower limit, 10 nm, with the upper limit, 100 nm, which is estimated from the transparency (no light scattering) of ionic liquids, an order of magnitude estimate of local structure is obtained as 10 nm < L < 100 nm, where L is the length or the diameter of the domain of local structure. 相似文献
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67.
K. Yamada N. Miura C. Hamaguchi 《Applied Physics A: Materials Science & Processing》1989,48(2):149-153
Chaotic conductivity oscillations were observed in n-Si in a narrow freeze-out temperature range between 26 K and 34 K in a pulsed high magnetic field of about 18 T. It was found that the chaotic behaviour can be drastically influenced by the magnetic field. Period-doubling bifurcations were found in these chaotic oscillations and the routes to the chaos were determined. The attractor dimensions of the chaos converged to around 1.1 to 2.3 depending on the applied electric fields. The frequency dependence of the power spectrum of the oscillations was approximately 1/f
2. 相似文献
68.
Addition of 5%Ni to an Fe?28%Cr alloy causes a transition of the aging behavior from the nucleation and growth to the spinodal decomposition. Very rapid increase in the average internal magnetic field and a broadening of the internal magnetic field distribution occur in the spinodal decomposition. Mössbauer spectra are synthesized by assuming a rectangular and a sinusoidal wave for the composition fluctuation, and the internal magnetic field distributions obtained from those are compared with the experimental results to estimate a time evolution of the amplitude of the composition wave. 相似文献
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70.
Kazuma Matsunaga Kazuhiko Takatori Hiroshi Kogen Naoki Saito 《Tetrahedron letters》2018,59(43):3872-3875
A synthetic route to 6,6-dimethyltricyclo[5.4.0.02,8]undecane-2,9-diol, a key precursor to (ent-)longipinane-type sesquiterpenoids, is described. This unique core common to (ent-)longipinanes was constructed using two types of intramolecular radical cyclization reactions, namely, intramolecular coupling of an acid chloride and an alkyl iodide mediated by SmI2, TBAI and HMPA, and the coupling of a ketone and an epoxide mediated by Cp2TiI2 and SmI2. 相似文献