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931.
Davut Avc Sümeyye Altürk Fatih Snmez
mer Tamer Adil Baolu Yusuf Atalay Belma Zengin Kurt Necmi Dege 《应用有机金属化学》2019,33(7)
Novel complexes of 6‐methylpyridine‐2‐carboxylic acid and 4(5)methylimidazole, namely [Mn(6‐mpa)2(4(5)MeI)2] ( 1 ), [Zn(6‐mpa)2(4(5)MeI)2] ( 2 ), [Cd(6‐mpa)2(4(5)MeI)2] ( 3 ), [Co(6‐mpa)2(4(5)MeI)2] ( 4 ), [Ni(6‐mpa)2(4(5)MeI)(OAc)] ( 5 ) and [Cu(6‐mpa)2(4(5)MeI)] ( 6 ), were synthesized for the first time. The structures of complexes 1 – 4 and complexes 5 and 6 were determined using X‐ray diffraction and mass spectrometric techniques, respectively. The experimental spectral analyses for these complexes were performed using Fourier transform infrared and UV–visible techniques. The α‐glucosidase inhibition activity values (IC50) of complexes 1 – 6 were identified in view of genistein reference compound. Moreover, the DFT/HSEh1PBE/6‐311G(d,p)/LanL2DZ level was used to obtain optimal molecular geometry and vibrational wavenumbers for complexes 1 – 6 . Electronic spectral behaviours and major contributions to the electronic transitions were investigated using TD‐DFT/HSEh1PBE/6‐311G(d,p)/LanL2DZ level with conductor‐like polarizable continuum model and SWizard program. Finally, in order to investigate interactions between the synthesized complexes ( 1 – 6 ) and target protein (template structure S. cerevisiae isomaltase), a molecular docking study was carried out. 相似文献
932.
Davut Avc Sümeyye Altürk Fatih Snmez
mer Tamer Adil Baolu Yusuf Atalay Belma Zengin Kurt Dilek
ztürk Necmi Dege 《应用有机金属化学》2019,33(3)
A new dinuclear copper (II) complex of 2,5–furandicarboxyclic acid with 4(5)‐methylimidazole, [Cu (FDCA)((4(5)MeI)2]2·2H2O, was synthesized, and its structure characterized by XRD, FT–IR and UV–Vis spectroscopic techniques. The α‐glucosidase inhibition and cytotoxicity study of the synthesized Cu (II) complex were determined by IC50 values. The optimized geometry and vibrational harmonic frequencies for the Cu (II) complex were obtained by using Density Functional Theory (DFT) of HSEh1PBE/6–311++G(d,p)/LanL2DZ level. TD‐DFT/HSEh1PBE/6–311++G(d,p)/LanL2DZ level with CPCM model was applied to examine the electronic spectral properties and major contributions were determined via Swizard program. To investigate linear and nonlinear optical behavior of the synthesized Cu (II) complex, the α, Δα and χ(1)/β, γ and χ(3) parameters called linear/nonlinear optical parameters in gas phase and ethanol solvent were computed at the same level and basis set. Furthermore, molecular electrostatic potential (MEP) surface was determined by using the same level. The docking study of the Cu (II) complex to the binding site of the target protein (the template structure S. cerevisiae isomaltase) is fulfilled. Natural bond orbital (NBO) analysis was used to investigate the hyperconjugative interactions, inter‐ and intra‐molecular bonding and to determine coordination around Cu (II) ion. Finally, present work is the first remarkable scientific report of mixed‐ligand (H2FDCA and 4(5)MeI) Cu (II) complex as novel drug candidate for DM II. It is also determined that microscopic third?NLO parameters for the Cu (II) complex is remarkable. 相似文献
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Kurt Johansson 《Communications in Mathematical Physics》2000,209(2):437-476
We study a certain random growth model in two dimensions closely related to the one-dimensional totally asymmetric exclusion process. The results show that the shape fluctuations, appropriately scaled, converges in distribution to the Tracy-Widom largest eigenvalue distribution for the Gaussian Unitary Ensemble (GUE). 相似文献
936.
Murat Aydemir Akın Baysal Nevin Gürbüz İsmail Özdemir Bahattin Gümgüm Saim Özkar Nagihan Çaylak Leyla Tatar Yıldırım 《应用有机金属化学》2010,24(1):17-24
Three new (N‐diphenylphosphino)‐isopropylanilines, having isopropyl substituent at the carbon 2‐ (1) 4‐ (2) or 2,6‐ (3) were prepared from the aminolysis of chlorodiphenylphosphine with 2‐isopropylaniline, 4‐isopropylaniline or 2,6‐diisopropylaniline, respectively, under anaerobic conditions. Oxidation of 1,2 and 3 with aqueous hydrogen peroxide, elemental sulfur or gray selenium gave the corresponding oxides, sulfides and selenides (Ph2P?E)NH? C6H4? 2‐CH(CH3)2, (Ph2P?E)NH? C6H4? 4‐CH(CH3)2 and (Ph2P?E)NH? C6H4? 2,6‐{CH(CH3)2}2, where E = O, S, or Se, respectively. The reaction of [M(cod)Cl2] (M = Pd, Pt; cod = 1,5‐cyclooctadiene) with two equivalents of 1,2 or 3 yields the corresponding monodendate complexes [M((Ph2P)NH? C6H4? 2‐CH(CH3)2)2Cl2], M = Pd 1d, M = Pt 1e, [M((Ph2P)NH? C6H4? 4‐CH(CH3)2)2Cl2], M = Pd 2d, M = Pt 2e and [M((Ph2P)NH? C6H4? 2,6‐(CH(CH3)2)2)2Cl2], M = Pd 3d, M = Pt 3e, respectively. All the compounds were isolated as analytically pure substances and characterized by NMR, IR spectroscopy and elemental analysis. Furthermore, representative solid‐state structure of [(Ph2P?S)NH? C6H4? 4‐CH(CH3)2] (2b) was determined using single crystal X‐ray diffraction technique. The complexes 1d–3d were tested and found to be highly active catalysts in the Suzuki coupling and Heck reaction, affording biphenyls and stilbenes, respectively. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
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TherootbarkofDicla));nuscl(I311'c'(I)pllsTurcz.(Chinesename"Bai-Xian-Pi")(Rutaceae)isatraditi0nalChinesemedicineusedtbrtreatment0fjaundice,coughandrheumatism.lthasaIs0beenwidelyusedt0treatsomeskindiseases1.lnourpreviouspapers.werep0rtedtl1eisolati0nandstructuredeterminati0n0fantifungalfuroquinolinealkal0idsandfivenovelsesquiterPeneglycosides=".Inac0ntinuati0n0fourinvestigationofchemicalco11sitituents0fthisplant,weidentifiedan0thertw0novelsesquiterpenediglycosidesnameddictamn0sidesFlandG2f… 相似文献
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