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911.
The contributions of the zeropoint energy from the 3N ? 7 other vibrations to the effective potential energy for internal rotation have been calculated for eight isotopic species of methyl alcohol. The basis of the calculation is the set of force constants determined by A. Serrallach, R. Meyer, and Hs. H. Günthard [J. Mol. Spectrosc.52, 94–129 (1974)] from infrared analyses. The results calculated for CH2DOH are V1 = 11.93 cm?1 and V2 = 0.17 cm?1 with ΔV3 < 0.05 cm?1. These values agree favorably with the experimental results as previously determined from analysis of the microwave torsional-rotational spectra of CH2DOH. 相似文献
912.
H.H. Chang B.W. Ridley T.H. Braid T.W. Conlon E.F. Gibson N.S.P. King 《Nuclear Physics A》1978,297(1):105-124
The differential cross sections for the elastic scattering of 3He ions on targets of 40Ca and 58Ni have been measured at incident energies of 27.7, 51.4, 73.2 and 83.5 MeV. The results of optical model analyses showed that only one unique potential (JR ≈ 330 MeV · fm3) with a surface absorptive term can provide acceptable fits to the large angle elastic scattering cross sections at 83.5 MeV. The particular geometrical set found at 83.5 MeV could not, however, give an adequate fit to the data with energy less than 40 MeV. Subsequent analyses indicated that a break in the energy dependence of the real potential is observed for the low energy data. Explicit energy dependent terms were obtained by fitting all the data simultaneously. These phenomenological potentials were also compared with the folded nucleon-nucleus potential. The influence of the α-particle channels on the elastic scattering of 3He ions at 83.5 MeV was also examined. 相似文献
913.
An exact one-particle-irreducible renormalization-group generator for critical phenomena is derived by an infinitesimal saddle-point expansion. This replaces the usual field-theoretic loop-expansion for the free energy and Green's functions with an explicit differential equation. 相似文献
914.
The NMR spin-lattice relaxation rate (R1) and the rotating-frame spin-lattice relaxation rate (R1rho) of amide 15N and carbonyl 13C (13C') of the uniformly 13C- and 15N-labeled ubiquitin were measured at different temperatures and field strengths to investigate the temperature dependence of overall rotational diffusion and local backbone motion. Correlation between the order parameter of the N-H vector, SNH2, and that of the carbonyl carbon, S2C', was investigated. The effective S2C' was estimated from the direct fit of the experimental relaxation rates and from the slope of 2R2-R1 vs. B2 using Lipari-Szabo formalism. The average SNH2 decreased by 5.9%, while the average S2C' decreased by 4.6% from 15 to 47 degrees C. At the extreme low and high temperatures the difference in the temperature dependence of the order parameters vanishes. At the intermediate temperatures they do not change by the same amount but they follow the same trend. On the same peptide plane along the protein sequence, S2C' and SNH2 are highly correlated. The results suggest that fast local motion experienced at the site of the N-H vector and carbonyl nucleus is more complicated than previously thought and it cannot be easily described by one single type of motion in a broad range of temperature. 相似文献
915.
2,6-Bis[4-(p-dihexylaminostyryl)styryl]anthracene derivatives with large two-photon cross sections 总被引:1,自引:0,他引:1
[Structure: see text] Anthracene derivatives with a variety of donor-acceptor substituents have been synthesized and shown to exhibit large two-photon cross sections over a wide range of wavelengths. 相似文献
916.
The formation and evolution of the solid electrolyte interphase (SEI) film on the surface of natural graphite spheres in the electrolyte of 1 M LiPF6 in ethylene carbonate (EC) and dimethyl carbonate (DMC) (volume ratio 1:1) were investigated with use of focused ion beam (FIB) technology. Secondary electron FIB images clearly show the surface and cross-section morphology of the SEI film. The composition variation along the surface and cross section of the SEI film was also explored by the elemental line scan analysis (ELSA). The initial SEI film with an apparent thickness range of approximately 450 to approximately 980 nm is rough in morphology and nonuniform in composition, and contains small splits. After certain electrochemical cycles, the thickened SEI film displays microscale holes and obvious cracks on the surface, and the content of organic compounds increases. In addition, the concept of "internal SEI film" is first proposed based on the characterization of the cross section of the natural graphite spheres with the aid of FIB. Finally, the capacity fading mechanisms of the natural graphite spheres corresponding to different electrochemical stages are discussed. 相似文献
917.
Fu TW Liao YH Chen CY Chang PT Wang CY Lin JL 《The journal of physical chemistry. B》2005,109(40):18921-18928
Temperature-programmed reaction/desorption, reflection-absorption infrared spectroscopy, and density functional theory calculations have been employed to investigate the adsorption and thermal reactions of ClCH2CH2OH on clean and oxygen-precovered Cu(100) surfaces. On Cu(100), ClCH2CH2OH is mainly adsorbed reversibly. The ClCH2CH2OH molecules at a submonolayer coverage can change their orientation with increasing temperature. However, on oxygen-precovered Cu(100), all of the adsorbed ClCH2CH2OH molecules below 0.5 langmuir exposures completely dissociate to generate ethylene and acetaldehyde via the intermediate of ClCH2CH2O-. The computational studies predict that the ClCH2CH2O- is most likely to be adsorbed at the 4-fold hollow sites of Cu(100), with its C-O bond only slightly titled away from the surface normal and with a gauche conformation with respect to the C-C bond. The hollow-site ClCH2CH2O- has an adsorption energy that is 4.4 and 19.2 kcal x mol(-1) lower than that of the ClCH2CH2O- bonded at the bridging and atop sites, respectively. No significant effect of precovered oxygen on the ClCH2CH2O- bonding geometry and infrared band frequencies has been observed, as compared with the case without oxygen. 相似文献
918.
Majumder G Abe K Abe K Adachi I Aihara H Asano Y Aulchenko V Aushev T Bahinipati S Bakich AM Banerjee S Bedny I Bitenc U Bizjak I Blyth S Bondar A Bozek A Bracko M Brodzicka J Browder TE Chang MC Chang P Chao Y Chen A Chen KF Chen WT Cheon BG Chistov R Choi Y Chuvikov A Cole S Dalseno J Danilov M Dash M Drutskoy A Eidelman S Enari Y Fratina S Gabyshev N Gershon T Go A Gokhroo G Golob B Gorisek A Haba J Hara T Hastings NC Hayasaka K Hayashii H Hazumi M Hinz L Hokuue T Hoshi Y Hou S Hou WS 《Physical review letters》2005,95(4):041803
We report evidence for B(0) --> D(0)D(-) and the first observation of the decay modes B(-) --> D(0)D(-) and B(-) --> D(0)D(*-) based on a sample of 152 x 10(6) BB events collected by the Belle detector at KEKB. The branching fractions for B(0) --> D(+) D(-), B--->D(0)D(-), and B--> D(0)D(*-) are found to be (1.91 +/- 0.51 +/- 0.30) x10(-4), (4.83 +/- 0.78 +/- 0.58) x 10(-4), and (4.57 +/- 0.71 +/- 0.56) x 10(-4), respectively. Charge asymmetries in the B---> D(0)D(-) and B(-) --> D(0)D(*-) channels are consistent with zero. 相似文献
919.
Abe K Abe K Adachi I Aihara H Akatsu M Anipko D Asano Y Aushev T Aziz T Bahinipati S Bakich AM Banerjee S Bedny I Bitenc U Bizjak I Blyth S Bondar A Bozek A Bracko M Brodzicka J Chang P Chao Y Chen A Chen KF Chen WT Cheon BG Chistov R Choi SK Choi Y Chuvikov A Dalseno J Danilov M Dash M Drutskoy A Eidelman S Eiges V Fang F Fratina S Gabyshev N Garmash A Gershon T Gokhroo G Golob B Haba J Hastings NC Hayasaka K Hayashii H Hazumi M Higuchi T Hinz L Hokuue T Hoshi Y Hou S Hou WS Iijima T Imoto A 《Physical review letters》2005,94(22):221805
We report on the first observation of D0/1(2420)-->D0pi- pi+ and D+/1(2420-->D+ pi- pi+ decays (where the contribution from the dominant known D1-->D*pi decay mode is excluded) in the B- -->D0/1pi-) and (-)B0-->D+/1pi- decays, respectively. The observation is based on 15.2 x 10(7) B(-)B events collected with the Belle detector at the KEKB collider. We also set 90% confidence level upper limits for the branching fractions of the four following decays: B- -->D0/1pi-, D01-->D(*0)pi- pi+, (-)B0-->D+/1pi-, D+/1-->D(*+) pi- pi+, B- -->D(*0)2(2460)pi-, D(*0)2 -->D(*0) pi- pi+, (-)B0-->D(*+)2(2460)pi-, D(*+)2-->D(*+)pi- pi+. 相似文献
920.
Chang SL Stetsko YP Tang MT Lee YR Sun WH Yabashi M Ishikawa T 《Physical review letters》2005,94(17):174801
X-ray back diffraction from monolithic two silicon crystal plates of 25-150 microm thickness and a 40-150 microm gap using synchrotron radiation of energy resolution DeltaE = 0.36 meV at 14.4388 keV clearly show resonance fringes inside the energy gap and the total-reflection range for the (12 4 0) reflection. This cavity resonance results from the coherent interaction between the x-ray wave fields generated by the two plates with a gap smaller than the x-ray coherence length. This finding opens up new opportunities for high-resolution and phase-contrast x-ray studies, and may lead to new developments in x-ray optics. 相似文献