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121.
J.I.García-García 《数学物理学报(B辑英文版)》2003,23(4):503-511
In this work commutative Archimedean finitely generated semigroups are characterized in terms of ideal extensions. 相似文献
122.
A potential for the bounded part of the Maxwell tensor associated to the Liénard-Wiechert field has been obtained by van Weert.
In this paper we explicitly derive the non-local potential for the radiative part of such a tensor. 相似文献
123.
124.
Postsynthetic Improvement of the Physical Properties in a Metal–Organic Framework through a Single Crystal to Single Crystal Transmetallation 下载免费PDF全文
Thais Grancha Dr. Jesús Ferrando‐Soria Prof. Dr. Hong‐Cai Zhou Prof. Dr. Jorge Gascon Dr. Beatriz Seoane Dr. Jorge Pasán Dr. Oscar Fabelo Prof. Dr. Miguel Julve Dr. Emilio Pardo 《Angewandte Chemie (International ed. in English)》2015,54(22):6521-6525
A single crystal to single crystal transmetallation process takes place in the three‐dimensional (3D) metal–organic framework (MOF) of formula MgII2{MgII4[CuII2(Me3mpba)2]3}?45 H2O ( 1 ; Me3mpba4?=N,N′‐2,4,6‐trimethyl‐1,3‐phenylenebis(oxamate)). After complete replacement of the MgII ions within the coordination network and those hosted in the channels by either CoII or NiII ions, 1 is transmetallated to yield two novel MOFs of formulae Co2II{CoII4[CuII2(Me3mpba)2]3}?56 H2O ( 2 ) and Ni2II{NiII4[CuII2(Me3mpba)2]3}? 54 H2O ( 3 ). This unique postsynthetic metal substitution affords materials with higher structural stability leading to enhanced gas sorption and magnetic properties. 相似文献
125.
Catalytic Asymmetric Reactions of 4‐Substituted Indoles with Nitroethene: A Direct Entry to Ergot Alkaloid Structures 下载免费PDF全文
Simone Romanini Emilio Galletti Dr. Lorenzo Caruana Prof. Andrea Mazzanti Prof. Fahmi Himo Dr. Stefano Santoro Prof. Mariafrancesca Fochi Prof. Luca Bernardi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(49):17578-17582
A domino Friedel–Crafts/nitro‐Michael reaction between 4‐substituted indoles and nitroethene is presented. The reaction is catalyzed by BINOL‐derived phosphoric acid catalysts, and delivers the corresponding 3,4‐ring‐fused indoles with very good results in terms of yields and diastereo‐ and enantioselectivities. The tricyclic benzo[cd]indole products bear a nitro group at the right position to serve as precursors of ergot alkaloids, as demonstrated by the formal synthesis of 6,7‐secoagroclavine from one of the adducts. DFT calculations suggest that the outcome of the reaction stems from the preferential evolution of a key nitronic acid intermediate through a nucleophilic addition pathway, rather than to the expected “quenching” through protonation. 相似文献
126.
Rajat Kumar Pal Kamran Haider Divya Kaur William Flynn Junchao Xia Ronald M Levy Tetiana Taran Lauren Wickstrom Tom Kurtzman Emilio Gallicchio 《Journal of computer-aided molecular design》2017,31(1):29-44
As part of the SAMPL5 blinded experiment, we computed the absolute binding free energies of 22 host–guest complexes employing a novel approach based on the BEDAM single-decoupling alchemical free energy protocol with parallel replica exchange conformational sampling and the AGBNP2 implicit solvation model specifically customized to treat the effect of water displacement as modeled by the Hydration Site Analysis method with explicit solvation. Initial predictions were affected by the lack of treatment of ionic charge screening, which is very significant for these highly charged hosts, and resulted in poor relative ranking of negatively versus positively charged guests. Binding free energies obtained with Debye–Hückel treatment of salt effects were in good agreement with experimental measurements. Water displacement effects contributed favorably and very significantly to the observed binding affinities; without it, the modeling predictions would have grossly underestimated binding. The work validates the implicit/explicit solvation approach employed here and it shows that comprehensive physical models can be effective at predicting binding affinities of molecular complexes requiring accurate treatment of conformational dynamics and hydration. 相似文献
127.
We consider the integral functional
under non-standard growth assumptions that we call p(x) type: namely, we assume that
a relevant model case being the functional
Under sharp assumptions on the continuous function p(x)>1 we prove regularity of minimizers. Energies exhibiting this growth appear in several models from mathematical physics.
Accepted July 13, 2000?Published online January 22, 2001 相似文献
128.
Francesco dellIsola Emilio Turco Anil Misra Zacharias Vangelatos Costas Grigoropoulos Vasileia Melissinaki Maria Farsari 《Comptes Rendus Mecanique》2019,347(5):397-405
In this paper, we reveal that the mathematical discrete model of Hencky type, introduced in [1], is appropriate for describing the mechanical behavior of micro-metric pantographic elementary modules. This behavior does not differ remarkably from what has been observed for milli-metric modules, as we prove with suitably designed experiments. Therefore, we conclude that the concept of pantographic microstructure seems feasible for micro-metrically architected microstructured (meta)materials as well. These results are particularly indicative of the possibility of fabricating materials that can have an underlying pantographic microstructure at micrometric scale, so that its unique behavior can be exploited in a larger range of technological applications. 相似文献
129.
130.
Ferrando-Soria J Pardo E Ruiz-García R Cano J Lloret F Julve M Journaux Y Pasán J Ruiz-Pérez C 《Chemistry (Weinheim an der Bergstrasse, Germany)》2011,17(7):2176-2188
A series of neutral oxamato‐bridged heterobimetallic chains of general formula [MCu(Lx)2(S)2] ? p S ? q H2O [p=0–1, q=0–2.5; L1=N‐2,6‐dimethylphenyloxamate, S=DMF with M=Mn ( 1 a ) and Co ( 1 b ); L2=N‐2,6‐diethylphenyloxamate, S=DMF with M=Mn ( 2 a ) and Co ( 2 b ) or S=DMSO with M=Mn ( 2 c ) and Co ( 2 d ); L3=N‐2,6‐diisopropylphenyloxamate, S=DMF with M=Mn ( 3 a ) and Co ( 3 b ) or S=DMSO with M=Mn ( 3 c ) and Co ( 3 d )] were prepared by treating the corresponding anionic oxamatocopper(II) complexes [Cu(Lx)2]2? (x=1–3) with M2+ cations (M=Mn and Co) in DMF or DMSO as the solvent. The single‐crystal X‐ray structures of 2 a and 3 a reveal the occurrence of well‐isolated, zigzag, oxamato‐bridged manganese(II)–copper(II) chains. The intrachain Cu ??? Mn distances across the oxamato bridge are 5.3761(7) and 5.4002(17) Å for 2 a and 3 a , respectively, whereas the shortest interchain Mn ??? Mn distances are 9.4475(16) and 8.1649(14) Å for 2 a and 3 a , respectively. All of these MIICuII chains (M=Mn and Co) exhibit 1D ferrimagnetic behaviour with moderately strong intrachain antiferromagnetic coupling between the square‐planar CuII and octahedral high‐spin MII ions across the oxamato bridge [?J=31.4–35.2 and 33.4–44.8 cm?1, respectively; H =∑i?J S M,i( S Cu,i+ S Cu,i?1)]. Only the CoIICuII chains show slow magnetic relaxation effects characteristic of single‐chain magnets (SCMs). Analysis of the magnetic relaxation dynamics of 3 d shows a thermally activated mechanism (Arrhenius law dependence) with values of the pre‐exponential factor (τ0=2.6×10?9 s) and activation energy (Ea=7.7 cm?1) that are typical of SCMs. In contrast, two relaxation regimes are observed for 2 d in different temperature regions (τ0=3.2×10?10 s and Ea=24.7 cm?1 for T<4.5 K and τ0=3.2×10?14 s and Ea=37.5 cm?1 for T>4.5 K). 相似文献