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61.
62.
Garbapu Suresh Ratnakaram Venkata Nadh Navuluri Srinivasu Durgaprasad Yennity 《合成通讯》2017,47(17):1610-1621
A new and efficient synthetic route for dual-Src/Abl kinase inhibitor dasatinib (Sprycel®), an anticancer drug, is described. This commercially viable process yields dasatinib monohydrate free of potential impurities with consistent yield of 68% in route A and 61% in route B with HPLC purity >99.80% over four stages. 相似文献
63.
Temperature-modulated differential scanning calorimetry (TMDSC) is known to have the ability to measure heat capacity of materials
more accurately than the conventional differential scanning calorimeter. However, the accuracy of the measured heat capacity
displays significant dependence on various experimental parameters such as period of modulation (p), amplitude of modulation (a), geometry of sample (g), heating rate (r), etc. One of the key features of this system is the ability to measure heat capacity under quasi-isothermal conditions.
In the present investigation, heat capacity of a well-established system namely sapphire and thoria was measured by TMDSC
under dynamic mode and also under quasi-isothermal mode. The experimental parameters, mentioned above p, a, g, and r are varied to establish the conditions for measuring heat capacity accurately. 相似文献
64.
G. Panneerselvam R. Venkata Krishnan K. Nagarajan M. P. Antony 《Journal of Thermal Analysis and Calorimetry》2010,101(1):169-173
Dysprosium hafnate is a candidate material for as control rods in nuclear reactor because dysprosium (Dy) and hafnium (Hf)
have very high absorption cross-sections for neutrons. Dysprosium hafnate (Dy2O3·2HfO2-fluorite phase solid solution) was prepared by solid-state as well as wet chemical routes. The fluorite phase of the compound
was characterized by using X-ray diffraction (XRD). Thermal expansion characteristics were studied using high temperature
X-ray diffraction (HTXRD) in the temperature range 298–1973 K. Heat capacity measurements of dysprosium hafnate were carried
out using differential scanning calorimetry (DSC) in the temperature range 298–800 K. The room temperature lattice parameter
and the coefficient of thermal expansion are 0.5194 nm and 7.69 × 10−6 K−1, respectively. The heat capacity value at 298 K is 232 J mol−1 K−1. 相似文献
65.
Presented here is a method, the hierarchical charge partitioning (HCP) approximation, for speeding up computation of pairwise electrostatic interactions in biomolecular systems. The approximation is based on multiple levels of natural partitioning of biomolecular structures into a hierarchical set of its constituent structural components. The charge distribution in each component is systematically approximated by a small number of point charges, which, for the highest level component, are much fewer than the number of atoms in the component. For short distances from the point of interest, the HCP uses the full set of atomic charges available. For long‐distance interactions, the approximate charge distributions with smaller sets of charges are used instead. For a structure consisting of N charges, the computational cost of computing the pairwise interactions via the HCP scales as O(N log N), under assumptions about the structural organization of biomolecular structures generally consistent with reality. A proof‐of‐concept implementation of the HCP shows that for large structures it can lead to speed‐up factors of up to several orders of magnitude relative to the exact pairwise O(N2) all‐atom computation used as a reference. For structures with more than 2000–3000 atoms the relative accuracy of the HCP (relative root‐mean‐square force error per atom), approaches the accuracy of the particle mesh Ewald (PME) method with parameter settings typical for biomolecular simulations. When averaged over a set of 600 representative biomolecular structures, the relative accuracies of the two methods are roughly equal. The HCP is also significantly more accurate than the spherical cutoff method. The HCP has been implemented in the freely available nucleic acids builder (NAB) molecular dynamics (MD) package in Amber tools. A 10 ns simulation of a small protein indicates that the HCP based MD simulation is stable, and that it can be faster than the spherical cutoff method. A critical benefit of the HCP approximation is that it is algorithmically very simple, and unlike the PME, the HCP is straightforward to use with implicit solvent models. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010 相似文献
66.
Spatially homogeneous Bianchi types V and VI0 cosmological models are studied with source cosmic cloud strings coupled with electromagnetic field in Rosen’s (Gen. Relativ.
Gravit. 4:435, 1973) bimetric theory of relativity. It is observed that Bianchi type V space time is feasible whereas Bianchi type VI0 is not feasible. In the feasible case different equations of state for cosmic strings with Maxwell fields do not survive
in this theory and the space-time turns out to be flat. 相似文献
67.
T. Raghavendra RaoCh. Rama Krishna U.S. Udayachandran ThampyCh. Venkata Reddy Y.P. ReddyP. Sambasiva Rao R.V.S.S.N. Ravikumar 《Physica B: Condensed Matter》2011,406(11):2132-2137
The effect of Li2O content in vanadyl doped 20ZnO+xLi2O+(30−x)Na2O+50B2O3 (5≤x≥25) glasses has been studied with respect to their physical and structural properties. The absence of sharp peaks in XRD spectra of these glass samples confirms the amorphous nature. The physical parameters like density, refractive index, ionic concentration and electronic polarizability vary non-linearly with x mol% depending on the diffusivities of alkali ions. EPR and optical absorption spectra reveal that the resonance signals are characteristics of VO2+ ions in tetragonally compressed octahedral site. Spin-Hamiltonian, crystal field, tetragonal field and bonding parameters are found to be in good agreement with the other reported glass systems. The tetragonal distortion (g⊥-g∥) and Dt reveals that their values vary non-linearly with Li2O content and reaches a minimum at x=10 mol%. An anomaly of character has been observed in all the properties of vanadyl doped glass systems, which gives a clear indication of mixed alkali effect. 相似文献
68.
P. Saravanan G. Venkata RamanaK. Srinivasa Rao B. SreedharV.T.P. Vinod V. Chandrasekaran 《Journal of magnetism and magnetic materials》2011,323(15):2083-2089
Self-assembled Sm-Co nanoparticles in the form of spherical aggregates (referred as nanospheres) with diameter ranging from 50 to 180 nm were achieved by means of polyol technique. The size distribution of the Sm-Co nanospheres can be regulated close to ∼100 nm by controlling the molar ratio of Sm:Co precursor. The spherical aggregates exhibited Sm2Co7 phase as a major constituent; while the aggregates obtained at higher Co concentration showed co-existence of Co-phase with Sm2Co7 phase. Upon annealing, the biphasic nature of nanospheres (Sm2Co7/Co) transformed into Sm2Co17 structure. By varying the Sm:Co precursor ratio from 1:5 to 1:9, the coercivity (Hc) and magnetization (Ms) values of the as-synthesized nanospheres can be tuned from 336 to 140 Oe and from 63.7 to 108 emu/g, respectively, and these values significantly improved after annealing. Maximum values of Hc (1050 Oe) at the Sm:Co molar ratio of 1:5 and Ms of 184.6 emu/g at the Sm:Co molar ratio of 1:9 were achieved in the annealed samples. 相似文献
69.
In the present work, mathematical models of three important casting processes are considered namely squeeze casting, continuous casting and die casting for the parameters optimization of respective processes. A recently developed advanced optimization algorithm named as teaching–learning-based optimization (TLBO) is used for the parameters optimization of these casting processes. Each process is described with a suitable example which involves respective process parameters. The mathematical model related to the squeeze casting is a multi-objective problem whereas the model related to the continuous casting is multi-objective multi-constrained problem and the problem related to the die casting is a single objective problem. The mathematical models which are considered in the present work were previously attempted by genetic algorithm and simulated annealing algorithms. However, attempt is made in the present work to minimize the computational efforts using the TLBO algorithm. Considerable improvements in results are obtained in all the cases and it is believed that a global optimum solution is achieved in the case of die casting process. 相似文献
70.
Ramu Meesala 《Tetrahedron letters》2010,51(2):422-4670
A concise method for the preparation of pyrroloacridines was reported via CuI mediated Ullmann-Goldberg condensation of 5-amino-2-methylindoles and o-halobenzoic acid derivatives followed by cyclization with POCl3. 相似文献