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21.
Shigeru Arimoto Mark Spivakovsky Hiromu Ohno Peter Zizler Keith F. Taylor Tokio Yamabe Paul G. Mezey 《International journal of quantum chemistry》2001,84(4):389-400
The present Part VI of this series of articles provides a mathematical and methodical link between (i) fundamental methodology in the repeat space theory (RST), which is referred to as the approach via the aspect of form and general topology and which has universal unifying power to handle additivity problems of molecules that have many identical moieties, and (ii) frontier electron theory of reactivity indices. Using theoretical tools required to link (i) and (ii), we establish a theorem from which the Generalized Alpha Existence Theorem (a theorem essential in the RST and proved in the previous Part V) directly follows. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem 84: 389–400, 2001 相似文献
22.
Naoto Sugimoto Seiji Fukushima Yasuhiro Suzuki Yoshihisa Sakai Hiromasa Tanobe Takeshi Kurosaki Kazuto Noguchi Kimio Oguchi Hiromu Toba 《光学学报》2003,23(Z1)
A new generation of network interface card for fiber-to-the-desktop has been fabricated. The fabricated card is PC-card size and suitable for notebook PCs. It could become the key element in the coming optical Ethernet age. 相似文献
23.
Summary Stability constants of 2-mercaptohistamine (2-MH) with a number of transition metal ions were determined by a potentiometric titration method and the coordination mode of (2-MH) metal complexes were thereby characterized. With MnII, Fell, CoII, and NiII, coordination occurred through both the imidazole-nitrogen and amino groups, while with ZnII, CdII, PbII, and HgII, both thiolate and amino groups, contribute to the coordination. in the 2-MH copper complex, polymer formation is suggested on the basis of visible absorption and e.p.r. spectra. 相似文献
24.
Masato Sakaguchi Hiromu Kinpara Yasuro Hori Shigetaka Shimada Hisatsugu Kashiwabara 《Journal of Polymer Science.Polymer Physics》1988,26(6):1307-1312
When poly(vinylidene fluoride) (PVDF) was ground with tetracyanoethylene (TCNE) powder in a vibration glass ball mill in vacuum in the dark at 77 K, the TCNE anion radical (TCNE-) was detected in the mixture by ESR spectroscopy. The TCNE.- is formed by the abstraction of electrons by TCNE from the anion that is produced by a heterogeneous bond scission of carbon-carbon bonds in the polymer main chain. The assignment of TCNE.- was carried out by the ESR spectral simulation on the basis of an anisotropic effective hyperfine tensor that includes a forbidden transition term. At least 85% of the bond scission of the PVDF main chain is induced by a heterogeneous process to produce ionic products. The yield of these mechanions seems to increase with the polarity of carbon-carbon bond owing to a substituent group bonded to the carbon in the polymer main chain. 相似文献
25.
Hiromu Saito Mamoru Takahashi Takashi Inoue 《Journal of Polymer Science.Polymer Physics》1988,26(8):1761-1768
Orientation relaxation of dissimilar chains in the molten miscible blends, poly(methyl methacrylate)/poly(vinylidene fluoride) and poly(methyl methacrylate)/poly(vinylidene fluoride-co-trifluoroethylene), were investigated by measuring (1) the change of infrared dichroic ratio with time after the uniaxial stretching of film specimens, (2) the shear stress relaxation spectrum, and (3) birefringence relaxation in shear. The dissimilar polymers showed an identical time variation of the normalized Hermans orientation function. The blend showed a relaxation spectrum with a single characteristic relaxation time τc, depending on the blend composition. The birefringence relaxed monotonically, remaining positive. These results suggest that the dissimilar polymers do not relax independently but cooperatively. This behavior may be induced by a constraint due to the specific interactions between the dissimilar polymers, e.g., weak hydrogen bonding. For the cooperative chain relaxation, a third power relationship was found; τc/τe vprop; (M/Me),3 where τe and Me are the relaxation time and molecular weight of entanglement strand, respectively, and M is the number average molecular weight in the blend. 相似文献
26.
Mitiko Miura Hitoshi Arimori Hiromu Murata Akiko Kida Kazuaki Iishi 《Journal of Physics and Chemistry of Solids》1983,44(7):627-631
The effect of the electronic extension on the electrostatic potential was first taken into account functionally by Birman. We have applied his model to the lattice dynamics of CaO, where the degree of the electronic extension w was defined and determined with the use of the electronic charge density distribution obtained from analysis of X-ray data. Our treatment shown here not only gives a physically meaningful model including the feature of the electronic extension, but also involves essentially the same very simple process as the conventional point-charge model but with fewer adjustable parameters. Good reproduction of calculated phonon dispersion curves was obtained by taking into account the electronic extension, although the degree of the electronic extension, w, used to fit the curve was a little larger than that derived from the observed data owing to the first rough approximation for the potential energy arising from the electronic extension. 相似文献
27.
Photolysis of acyclic monothioimides gave β-lactams and thioamides via Type II reaction involving γ-hydrogen abstraction by thiocarbonyl group. 相似文献
28.
The CNDO/2 and INDO calculations were performed on s-triazine and s-tetrazine. The s-triazine has three lone-pairs in a molecule, and these can be combined into three combinations, A, ns and nA. Among the three, ns and nA are degenerated when the whole interaction conserves its molecular point symmetry, D3h. The s-tetrazine has four lone-pairs, which can be transformed into four combinations, SS,SA, AS and AA. The energies of these orbitals show interesting behavior. The results were subjected to an analysis from the standpoint of the through-space and through-bond interactions using the localized molecular orbitals. As a result of these analyses, the interactions were expressed by several interaction terms. 相似文献
29.
Copper(II) ion-bound CysGly dipeptides linked by an azobenzene derivative were photoisomerized between the trans and cis forms. The two copper(II) ion centers were positioned close to each other in the cis form, whereas they were far away from each other in the trans form. The copper complex in the cis form exhibited DNA cleavage activity, whereas the activity in the trans form was negligible. The DNA cleavage activity of the cis form is attributed to the cooperation of the closely located copper(II) centers. The present results show the photocontrol of the cooperation of metal ions for DNA cleavage. 相似文献
30.
A novel oxidative cyclization of quinone-arenols 5 leading to products 6 with a dibenzofuran-1,4-dione structure, which forms the core of several natural products, has been developed and applied to the synthesis of violet-quinone (4). 相似文献