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181.
Mitiyasu Miyasita Katsuhiko Higuchi Masahiko Higuchi 《Physica B: Condensed Matter》2012,407(14):2758-2762
We present an alternative scheme for calculating the unrestricted Hartree–Fock (HF) equation. The scheme is based on the variational method utilizing the sophisticated basis functions that include no adjustable parameters. The validity of the present scheme is confirmed by actual calculations of the boron and neon atoms. The total energy of the present scheme is lower than that of the conventional restrictive HF equation, but higher than that of the CI method. Also, the resultant wave function satisfies the electron–nucleus cusp condition. 相似文献
182.
Adachi I Aihara H Asner DM Aulchenko V Aushev T Aziz T Bakich AM Bay A Bhardwaj V Bhuyan B Bischofberger M Bondar A Bozek A Bračko M Browder TE Chen P Cheon BG Chilikin K Chistov R Cho K Choi SK Choi Y Dalseno J Danilov M Doležal Z Drásal Z Eidelman S Epifanov D Fast JE Gaur V Gabyshev N Garmash A Goh YM Golob B Haba J Hara K Hara T Hayasaka K Hayashii H Higuchi T Horii Y Hoshi Y Hou WS Hsiung YB Hyun HJ Iijima T Ishikawa A Itoh R Iwabuchi M Iwasaki Y Iwashita T Julius T Kapusta P Katayama N 《Physical review letters》2012,108(17):171802
We present a precise measurement of the CP violation parameter sin2φ1 and the direct CP violation parameter A(f) using the final data sample of 772×10(6) BB[over ˉ] pairs collected at the Υ(4S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. One neutral B meson is reconstructed in a J/ψK(S)(0), ψ(2S)K(S)(0), χ(c1)K(S)(0), or J/ψK(L)(0) CP eigenstate and its flavor is identified from the decay products of the accompanying B meson. From the distribution of proper-time intervals between the two B decays, we obtain the following CP violation parameters: sin2φ1=0.667±0.023(stat)±0.012(syst) and A(f)=0.006±0.016(stat)±0.012(syst). 相似文献
183.
An Eu-based metallo-supramolecular polymer (polyEu) was prepared by self-assembly coordination polymerization. Unique vapoluminescence property of polyEu triggered by acid-base vapor was found and a photoluminescence display in switchable imaging by acid-base vapor was fabricated. 相似文献
184.
Takahashi K Hasegawa Y Sakamoto R Nishikawa M Kume S Nishibori E Nishihara H 《Inorganic chemistry》2012,51(9):5188-5198
We previously reported that an Fe(II) complex ligated by two (Z)-2,6-di(1H-pyrazol-1-yl)-4-styrylpyridine ligands (Z-H) presented a solid state ligand-driven light-induced spin change (LD-LISC) upon one-way Z-to-E photoisomerization, although modulation of the magnetism was trivial at ambient temperatures (Chem. Commun.2011, 47, 6846). Here, we report the synthesis of new derivatives of Z-H, Z-CN and Z-NO(2), in which electron-withdrawing cyano and nitro substituents are introduced at the 4-position of the styryl group to attain a more profound photomagnetism at ambient temperatures. Z-CN and Z-NO(2) undergo quantitative one-way Z-to-E photochromism upon excitation of the charge transfer band both in acetonitrile and in the solid state, similar to the behavior observed for Z-H. In solution, these substituents stabilized the low-spin (LS) states of Z-CN and Z-NO(2), and the behavior was quantitatively analyzed according to the Evans equation. The photomagnetic properties in the solid state, on the other hand, cannot be explained in terms of the substituent effect alone. Z-CN displayed photomagnetic properties almost identical to those of Z-H. Z-CN preferred the high-spin (HS) state at all temperatures tested, whereas photoirradiated Z-CN yielded a lower χ(M)T at ambient temperatures. The behavior of Z-NO(2) was counterintuitive, and the material displayed surprising photomagnetic properties in the solid state. Z-NO(2) occupied the LS state at low temperatures and underwent thermal spin crossover (SCO) with a T(1/2) of about 270 K. The photoirradiated Z-NO(2) displayed a higher value of χ(M)T and the modulation of χ(M)T exceeded that of Z-H or Z-CN. Z-NO(2)·acetone, in which acetone molecules were incorporated into the crystal lattice, further stabilized the LS state (T(1/2) > 300 K), thereby promoting large modulations of the χ(M)T values (87% at 273 K and 64% at 300 K) upon Z-to-E photoisomerization. Single crystal X-ray structure analysis revealed that structural factors played a vital role in the photomagnetic properties in the solid state. Z-H and Z-CN favored intermolecular π-π stacking among the ligand molecules. The coordination sphere around the Fe(II) nucleus was distorted, which stabilized the HS state. In contrast, Z-NO(2)·acetone was liberated from such intermolecular π-π stacking and coordination distortion, resulting in the stabilization of the LS state. 相似文献
185.
186.
Railway companies are encouraged to install platform screen doors (PSDs) for safety reason in Japan. The PSDs might affect train noises in stations, but the effects are not well understood. The aim of the present study is to clarify the effects of PSDs on acoustic characteristics. PSDs can be principally classified by two types, i.e., mobile full-height (MFH) and mobile half-height (MHH). Train noises were recorded in ground and underground train stations with MFH, MHH and without PSDs. The noises were evaluated by noise level, the maximum peak of the interaural cross-correlation function (IACC), and the width of the first decay (WΦ(0)) of the autocorrelation function. Noise level emitted by trains was reduced by PSDs in both aboveground and underground stations. IACC was decreased by PSDs in both ground and underground stations, suggesting that PSDs made train noises more diffused. WΦ(0) was decreased by PSDs in both ground and underground stations, which means that the train noises in station with PSDs have higher spectral centroid, suggesting that the PSDs blocked the lower frequency components of train noises. 相似文献
187.
Two novel type gangliosides CJP2 and CJP3 have been obtained from the feather star Comanthus japonica. On the basis of methylation linkage analysis combined with ammonolysis and other chemical and spectroscopic evidence, the chemical structures of CJP2 and CJP3 were determined to be alpha-9-O-Me-NeuGc-(2-->3)-inositolphosphoceramide and alpha-9-O-Me-NeuGc-(2-->11)-alpha-9-O-Me-NeuGc-(2-->3)-inositolphosphoceramide, respectively. These gangliosides are unique in that they are inositolphosphoceramide derivatives possessing sialic acid; such gangliosides have not previously been identified. The presence of 9-O-methyl-N-glycolyl-neuraminosyl residues is also unique in naturally occurring gangliosides. 相似文献
188.
Dr. Yohei Hattori Shunsuke Tsubaki Dr. Ryota Matsuoka Dr. Tetsuro Kusamoto Prof. Hiroshi Nishihara Prof. Kingo Uchida 《化学:亚洲杂志》2021,16(17):2538-2544
Polychlorinated pyridyldiphenylmethyl radicals having substituents meta to the position bearing the carbon-centered radical (α-carbon) are synthesized. All of them are stable in ambient conditions in solutions and fluorescent in cyclohexane. The fluorescence of the radicals with bromo, phenyl, 4-chlorophenyl, or 2-pyridyl substituents are enhanced in chloroform, while the emission of the radicals with 2-thienyl or 2-furyl substituents are quenched in chloroform. DFT and TD-DFT calculations indicate that the first doublet excited states of the former are locally excited, while the first doublet excited states of the latter are charge transfer states from the π-electron-donating substituent to the accepting radical. The latter also show much higher photostability under 370-nm light irradiation compared with the first reported photostable fluorescent radical, (3,5-dichloro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical (PyBTM), with pronounced bathochromic shifts of the fluorescence. 相似文献
189.
Optical Review - Increasing efficiency and productivity in the field of agriculture is important to provide sufficient food to the world’s increasing population. It is important to monitor... 相似文献
190.
Naoto HayashiHiroki Nakashima Yukari TakayamaHiroyuki Higuchi 《Tetrahedron letters》2003,44(29):5423-5426
Octaethylporphyrin (OEP) was combined with 2-substituted 3-hexylthiophenes (HTh) by diacetylene linkage to afford the highly extended conjugation system (HTh-OEP). Their absorption spectral properties were examined, proving that the electronic structure of OEP is affected by the more electron-withdrawing substituents through the diacetylene linkage more dramatically. The substituent effect on the HTh-OEP conjugation system is much outstanding, as compared with that on the corresponding benzene system (Bzn-OEP). 相似文献