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81.
The vortical structure of a circular water jet was investigated by a flow visualization technique. The jet was excited by axial and azimuthal perturbations to stabilize and enhance the large-scale axisymmetric and streamwise vortices. A laser fluorescent dye and a laser light sheet were used to visualize the vortical structure, and the whole view of the structure was captured by applying the Taylor hypothesis to the cross-sectional images and by scanning a laser light sheet in the streamwise direction. The visualized images reveal the details of the complicated structure of axisymmetric and streamwise vortices, and it is confirmed that the streamwise vortices have fundamental effect on the entrainment of ambient fluid. From the images, the length of jet boundary was calculated to estimate the mixing effect. The result suggests that the jet mixing is significantly increased by the break-down of the vortices enhanced by axial and azimuthal perturbations. We also discussed the jet diffusion effect in consideration of the jet widths obtained by velocity measurement. The result indicates that the vortical structure including streamwise vortices plays an important role to enhance diffusion. 相似文献
82.
Toyoda Masahiro Watanabe Junko Matsumiya Toshifumi 《Journal of Sol-Gel Science and Technology》1999,16(1-2):93-99
ZnO thin films were prepared on silicon substrate with Pt electrode by the sol-gel processing using Zn alkoxide solution prepared from Zn(NO3)2·6H2O and 2-methoxyethanol. FT-IR spectroscopy showed the presence of Zn species in the alkoxide, with methoxyethoxide and nitrato groups as coordination ligands, indicating formation of Zn(NO3)(OCH2CH2OCH3). Smooth and homogeneous thin films were obtained by heat treating coating gel films in the temperature range from 250 to 500°C. The ZnO thin films exhibited a preferred growth of crystals with c-axis perpendicular to the Si substrate surface when fired at 250°C. It was discussed that the presence of nitrogen atoms in precursors had affected the phase development of crystals and was the basis of the structural relaxation for crystallization at low temperature. 相似文献
83.
M. Tada H. Yokoyama Y. Toyoda H. Ohya T. Ito T. Ogata 《Applied magnetic resonance》2000,18(4):575-582
Three kinds of surface-coil-type resonators (SCRs) operating at 720 MHz were fabricated for in vivo temporal electron spin resonance (ESR) measurements. The inner diameter of the singleturn coil of the SCRs was 3, 4, or 10 mm. ResonatorQ increases and the detection limit decreases with coil diameter. The distance across which the microwave magnetic field can penetrate in the direction facing to the coil was about the same (about 2 mm) for all SCRs. In vivo kinetic studies of intravenously injected 4-hydroxy-2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPOL) were performed at the liver, kidney, stomach, rectum, vein, and skin of rats with SCRs suited to the target areas. The halflife of TEMPOL was estimated from the exponential decay of the ESR signal intensity (the peak-to-peak height). Different sites in the rat showed apparent differences in the half-life of TEMPOL. This suggests that the apparent differences in the reducing ability of TEMPOL are related to the organ or tissue where measurement is taken because no excretion of TEMPOL was observed. 相似文献
84.
Satoshi Ono Nobuyuki Nakajima Junichi Higo Haruki Nakamura 《Journal of computational chemistry》2000,21(9):748-762
The C96 and AMBER95 force fields were compared with small model peptides Ac‐(Ala)n‐NMe (Ac = CH3CO, NMe = NHCH3, n=2 and 3) in vacuo and in TIP3P water by computing the free‐energy profiles using multicanonical molecular dynamics method. The C96 force field is a modified version of the AMBER95 force field, which was adjusted to reproduce the energy difference between extended β‐ and constrained α‐helical energies for the alanine tetrapeptide, obtained by the high level ab initio MO method. The slight modification resulted in a large difference in the free energy profiles. The C96 force field prefers relatively extended conformers, whereas the AMBER95 force field favors turn conformations. © 2000 John Wiley & Sons, Inc. J Comput Chem 21: 748–762, 2000 相似文献
85.
Takayuki Toyoda Hisakazu Mihara Akihiko Ueno 《Macromolecular rapid communications》2002,23(15):905-908
Peptides bearing β‐cyclodextrin and 4‐(N,N‐dimethylamino)benzoyl (DMAB) units in the peptide side chains were prepared as chemosensors for molecule detection. The DMAB unit was expected to be included into the cyclodextrin cavity intramolecularly. However, these peptides exhibited no twisted intramolecular charge transfer fluorescence and the normal fluorescence intensity decreased upon the addition of 1‐adamantanol as an exogenous guest, indicating that the DMAB units are shallowly included in the cyclodextrin cavities. 相似文献
86.
Haruki Inoue Yuga Yamashita Yoshiki Ozawa Toshikazu Ono Masaaki Abe 《Molecules (Basel, Switzerland)》2021,26(21)
Two hexanuclear paddlewheel-like clusters appending six carboxylic-acid pendants have been isolated with the inclusion of polar solvent guests: [Cu6(Hmna)6]·7DMF (1·7DMF) and [Ag6(Hmna)6]·8DMSO (2·8DMSO), where H2mna = 2-mercaptonicotininc acid, DMF = N,N’-dimethylformamide, and DMSO = dimethyl sulfoxide. The solvated clusters, together with their fully desolvated forms 1 and 2, have been characterized by FTIR, UV–Vis diffuse reflectance spectroscopy, TG-DTA analysis, and DFT calculations. Crystal structures of two solvated clusters 1·7DMF and 2·8DMSO have been unambiguously determined by single-crystal X-ray diffraction analysis. Six carboxylic groups appended on the clusters trap solvent guests, DMF or DMSO, through H-bonds. As a result, alternately stacked lamellar architectures comprising of a paddlewheel cluster layer and H-bonded solvent layer are formed. Upon UV illumination (λex = 365 nm), the solvated hexasilver(I) cluster 2·8DMSO gives intense greenish-yellow photoluminescence in the solid state (λPL = 545 nm, ΦPL = 0.17 at 298 K), whereas the solvated hexacopper(I) cluster 1·7DMF displays PL in the near-IR region (λPL = 765 nm, ΦPL = 0.38 at 298 K). Upon complete desolvation, a substantial bleach in the PL intensity (ΦPL < 0.01) is observed. The desorption–sorption response was studied by the solid-state PL spectroscopy. Non-covalent interactions in the crystal including intermolecular H-bonds, CH⋯π interactions, and π⋯π stack were found to play decisive roles in the creation of the lamellar architectures, small-molecule trap-and-release behavior, and guest-induced luminescence enhancement. 相似文献
87.
Toshihiro Sakuma Hiroshi Kashiwagi Toshikazu Takada Haruki Nakamura 《International journal of quantum chemistry》1997,61(1):137-151
The charge separation occurring in the photosynthetic reaction center is the primary subject in order to understand the whole photosynthetic process. In this article, the electronic structures of the chlorophyll dimer, in which photoexcitation occurs, are investigated by using the ab initio molecular orbital scheme and pseudocharges and dipoles method which takes into account the electrostatic effect of the surrounding proteins, pigments, and aqueous solvent. As a first step, the ionization potentials of BCmp, BCIp, and the dimer of Rhodopseudomonas viridis are computed to study the characteristic of each molecule toward the elucidation of the primary charge separation. It has been found, from the present calculations, that BCmp and BClp constituting the dimer are not equivalent in their electronic ground states, since the electron could be removed more easily from BCmp than from BClp for two reasons: (1) the distorted molecular plane of Cmp, and (2) the effects of the surrounding electrostatic potentials to BCmp and BCIp. This tendency is further strengthened by the polarization of the environment, when, to the ab initio MO calculation, the contribution from the induced dipoles of the neighboring atoms in the proteins and other chromophores is included. From the present application, induced electric dipoles are found to be important to describe the molecular electronic structures affected by proteins. © 1997 John Wiley & Sons, Inc. 相似文献
88.
89.
Rena Haruki Hironori Kouno Masanori Hosoyamada Taku Ogawa Nobuhiro Yanai Nobuo Kimizuka 《化学:亚洲杂志》2019,14(10):1723-1728
Molecular self‐assembly is a powerful means to construct nanoscale materials with advanced photophysical properties. Although the protection of the photo‐excited states from oxygen quenching is a critical issue, it still has been in an early phase of development. In this work, we demonstrate that a simple and typical molecular design for aqueous supramolecular assembly, modification of the chromophoric unit with hydrophilic oligo(ethylene glycol) chains and hydrophobic alkyl chains, is effective to avoid oxygen quenching of triplet–triplet annihilation‐based photon upconversion (TTA‐UC). While a TTA‐UC emission is completely quenched when the donor and acceptor are molecularly dispersed in chloroform, their aqueous co‐assemblies exhibit a clear upconverted emission in air‐saturated water even under extremely low chromophore concentrations down to 40 μm . The generalization of this nano‐encapsulation approach offers new functions and applications using oxygen‐sensitive species for supramolecular chemistry. 相似文献
90.
Synthesis and Magnetic Properties of (Pyrrolidin‐1‐oxyl)–(Nitronyl Nitroxide)/(Iminonitroxide)‐Dyads
Haruki Tsujimoto Shuichi Suzuki Masatoshi Kozaki Daisuke Shiomi Kazunobu Sato Takeji Takui Keiji Okada 《化学:亚洲杂志》2019,14(10):1801-1806
Unlike extensively studied diradicals linked by π‐conjugated systems, only a few studies have investigated weakly coupled diradicals linked by an sp3 carbon atom. Herein, we prepared pyrrolidin‐1‐oxyl–(nitronyl nitroxide)‐dyad 5 and pyrrolidin‐1‐oxyl–iminonitroxide‐dyad 6 . From the observed temperature dependence of the magnetic susceptibility, 5 and 6 were determined to be in singlet ground states with 2Jintra/kB=?35.2 K and ?13.6 K, respectively. From these results and theoretical calculations of related diradicals, the spin‐polarization model counting the small spin density of the sp3 carbon atom could be used as a spin‐prediction model. 相似文献