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71.
Thanikasalam Kanagasabapathy Panchanatheswaran Krishnaswamy Jeyaraman Ramasubbu 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):o579-o582
rac‐5‐Diphenylacetyl‐2,2,4‐trimethyl‐2,3,4,5‐tetrahydro‐1,5‐benzothiazepine, C26H27NOS, (I), and rac‐5‐formyl‐2,2,4‐trimethyl‐2,3,4,5‐tetrahydro‐1,5‐benzothiazepine, C13H17NOS, (II), are both characterized by a planar configuration around the heterocyclic N atom. In contrast with the chair conformation of the parent benzothiazepine, which has no substituents at the heterocyclic N atom, the seven‐membered ring adopts a boat conformation in (I) and a conformation intermediate between boat and twist‐boat in (II). The molecules lack a symmetry plane, indicating distortions from the perfect boat or twist‐boat conformations. The supramolecular architectures are significantly different, depending in (I) on C—H...O interactions and intermolecular S...S contacts, and in (II) on a single aromatic π–π stacking interaction. 相似文献
72.
The structural phase transition and electronic properties at ambient (B 1-phase) and high pressure (B 2-phase) of heavy rare earth monoantimonides (RESb; RE?=?Ho, Er, and Tm) have been studied theoretically using the self-consistent tight binding linear muffin tin orbital method. These compounds show metallic behavior under ambient condition and undergo a structural phase transition to the B 2 phase at high pressure. We predict a structural phase transition from the B 1 to B 2 phase in the pressure range 30.0–35.0?GPa. Apart from this, the ground state properties, such as lattice parameter and bulk modulus are calculated and compared with the available theoretical and experimental results. 相似文献
73.
It is the purpose of this paper to model the retailer’s profit-maximizing strategy when confronted with supplier’s trade offer of credit and price-discount on the purchase of merchandise. Generally, retailers have to face many types of demands for different kinds of goods. In real situation, retailers have to correlate between the selling price and supplier’s trade offer, keeping in mind profit-maximization strategy. In the proposed model, all increasing deterministic demands are discussed analytically, numerically and graphically in the environment of permissible delay in payment and discount offer to the retailer. 相似文献
74.
Papia Chowdhury Tirtha Pratim Adhikary Sankar Chakravorti 《Journal of luminescence》2008,128(7):1113-1120
In this paper, an interesting transformation of the emission of anionic conformer of 2-benzoyl bezimidazole in ionic and non-ionic micelles is reported. Deprotonation is hindered in cationic and non-ionic micelles owing to probe molecule's passage deep inside positive ion-rich Stern-layer in contrast with anionic micelle. The orientation of probe molecule in the two ionic micelles, as determined from the spectral properties is opposite in nature. Micellar environment shields the formation of mono- and di-cationic species at very low pH. Three decay times of the probe in different time domains were attributed to three possible anionic species and they are modified differently in ionic and neutral micelles. Quantum chemical calculations also predict the existence of three different possible anionic species. 相似文献
75.
V.K. Sinha S.K. Malik D.T. Adroja J. Elbicki S.G. Sankar W.E. Wallace 《Journal of magnetism and magnetic materials》1989,80(2-3):281-284
The DyTiFe11 - xCox (x = 0, 1, 3), HoTiFe11 - xCox (x = 0, 3) and ErTiFe11 compounds, all exhibiting the T hMn12-type structure, were studied for their ac susceptibility in the temperature range 20–300 K. The Dy- and Ho-containing compounds exhibited spin reorientation from axial to cone to planar, or from axial to cone in the temperature range 250-50 K, as expected. In this structure Dy and Ho with negative second-order Stevens' coefficients (J < 0) favor planar rare earth sublattice anisotropy, while Fe and Co sublattices favor uniaxial and planar anisotropies, respectively and would be in competition as a function of temperature. A spin-reorientation type of behavior was also observed in the ErTiFe11 compound near 50 K. This observation appears to imply that, in this compound, the higher-order crystal-field terms are important. The magnetization data revealed that in these systems the rare earth and transition metal sublattices coupled antiparallel, as is normally the case in the heavy rare-earth-transition-metal compounds. 相似文献
76.
Anuva Samanta Bijan Kumar Paul Sankar Jana Nikhil Guchhait 《Photochemistry and photobiology》2010,86(5):1022-1029
The photophysical properties of 5-(4-fluorophenyl)-2-hydroxypyridine (FP2HP) at different pH and its fluorescence response toward different transition metal ions have been studied by steady-state absorption and emission spectroscopy in combination with quantum chemical calculations. Although keto-enol tautomerization is observed in the excited state, the molecule is weakly fluorescent due to the presence of electron-rich nitrogen atom and relatively electron-deficient fluorine atom, which may lead to photoinduced electron transfer process. In the presence of the transition metal ions, such as Zn2+, Cd2+, Hg2+, etc., the studied molecule exhibits changes in its absorption and emission properties. The present system shows fluorescence enhancement instead of usual quenching in presence of the transition metal ions, such as Fe2+ and Cu2+. Spectral observation leads to the interpretation that this structurally simple molecule can be effectively utilized as a chelation-enhanced fluorescence-based chemosensor for the detection of transition metal ions. The experimental findings corroborate well with theoretical calculations at Hartree–Fock level using 6-31G** and lanl2dz basis sets. 相似文献
77.
Yughandhar Sreedhar Neelam Rekha Dasari P. Reddy Prasad M. Sankar Nayak 《Journal of Saudi Chemical Society》2010,14(2):149-155
A novel analytical reagent 4-(2-hydroxy phenyl ethaminodiol), benzene-1,3-diol(4-2-HPEDB-1,3,D) was synthesized for the determination of molybdenum(VI). The present paper reveals the detailed study of electroanalytical behaviour for [Mo-(4-2-HPEDB-1,3,D)] complex under optimized conditions. The peak obtained for [Mo-(4-2-HPEDB-1,3,D)] prevent the interference of foreign ions which shows the sensitivity of the proposed method. The linearity was maintained at the concentration range of 0.5–200 μg/mL at pH 4.5 with correlation factor 0.9997. The present method was successfully applied for the analysis of molybdenum(VI) in biological fluids and plant material. The results obtained from the proposed method show good agreement with reference method. 相似文献
78.
Robert Gruar Christopher James Tighe Lee M. Reilly Gopinathan Sankar Jawwad Arshad Darr 《Solid State Sciences》2010,12(9):1683-1686
Herein, we report the rapid single step hydrothermal synthesis of phase pure Bi2MoO6 (koechlinite) and Bi2Mo3O12, via a continuous hydrothermal flow synthesis (CHFS) reactor, which uses supercritical water of 375–450 °C at a pressure of 24.1 MPa as a crystallising medium. The product being obtained as highly crystalline nano-materials with high surface area. Simple variation in synthesis condition and appropriate solution stoichiometry were shown to be sufficient to select the phase of the product. The materials synthesised showed significant photcatalytic activity towards the decolourisation of methylene blue in comparison to a commercial gold standard photocatalyst. 相似文献
79.
80.
Bipin Singh Koranga Mohan Narayan S. Uma Sankar 《International Journal of Theoretical Physics》2011,50(5):1515-1521
The recent measurement of Δ
sol
by the KamLAND experiment with very small errors, makes definitive predictions for the energy dependence of the solar neutrino
survival probability P
ee
. We fix Δ
sol
to be the KamLAND best fit value of 8×10−5 eV2 and study the energy dependence of P
ee
for solar neutrinos, in the framework of two flavour oscillations and also of three flavour oscillations. For the case of
two flavour oscillations, P
ee
has a measurable slope in the 5–8 MeV range but the solar spectrum measurements in this range find P
ee
to be flat. The predicted values of P
ee
, even for the best fit value of θ
sol
, differ by 2–3 σ from the Super-K measured values in each of the three energy bins of the 5–8 MeV range. If future measurements of solar neutrinos
by Super-K and SNO find a flat spectrum with reduced error bars (by a factor of 2), it will imply that two flavour oscillations
can no longer explain both KamLAND data and the solar spectrum. However a flat solar neutrino spectrum and the Δ
sol
measured by KamLAND can be reconciled in a three flavour oscillation framework with a moderate value of θ
13≈13°. 相似文献