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81.
Binamé J Meurice N Leherte L Glasgow J Fortier S Vercauteren DP 《Journal of chemical information and computer sciences》2004,44(4):1394-1401
In this paper, we propose a reduced representation of molecules of pharmacological interest based on their chemical functions. The proposed representations of the molecules are obtained by a topological analysis of their electron density maps at medium resolution, leading to graphs of critical points. The distribution of the different types of critical points are compared at various levels of resolution for a training set of 22 molecules in order to define the optimal resolution level leading to the best representation of the various chemical functions. The reduced representations can in the future be used for molecular similarity research and pharmacophore proposals. 相似文献
82.
The synthesis of a cofacial bis-porphyrinic tweezer bearing a tris-anthracenic spacer is reported. Its behavior as host has been evidenced as well as the ability of its cavity to adjust to guests of various sizes. 相似文献
83.
Madelin G Baril N Lewa CJ Franconi JM Canioni P Thiaudiére E de Certaines JD 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2003,161(1):108-111
A B(1) field gradient-based method previously described for the detection of mechanical vibrations has been applied to detect oscillatory motions in condensed matter originated from acoustic waves. A ladder-shaped coil generating a quasi-constant RF-field gradient was associated with a motion-encoding NMR sequence consisting in a repetitive binomial 13;31; RF pulse train (stroboscopic acquisition). The NMR response of a gel phantom subject to acoustic wave excitation in the 20-200 Hz range was investigated. Results showed a linear relationship between the NMR signal and the wave amplitude and a spectroscopic selectivity of the NMR sequence with respect to the input acoustic frequency. Spin displacements as short as a few tens of nanometers were able to be detected with this method. 相似文献
84.
Harrowven DC L'Helias N Moseley JD Blumire NJ Flanagan SR 《Chemical communications (Cambridge, England)》2003,(21):2658-2659
A new approach to eight and nine membered ring synthesis is described in which a radical ipso-substitution reaction features as a key step. 相似文献
85.
Solladié N Walther ME Gross M Duarte TM Bourgogne C Nierengarten JF 《Chemical communications (Cambridge, England)》2003,(19):2412-2413
In addition to the ammonium-crown ether recognition, pi-stacking interactions between the C60 sphere and the porphyrin moiety have been evidenced in a supramolecular complex obtained from a porphyrin-crown ether conjugate and a fullerene derivative bearing an ammonium unit. 相似文献
86.
Upon crystallisation of two bismonodentate tectons based on two pyridine units, interconnected at the meta position by a tetra- or hexa-ethylene glycol fragment and Ag+ cation, double stranded helical infinite coordination networks were formed and structurally characterised. The cationic double helical architectures obtained may be regarded as analogues of DNA in terms of topology. 相似文献
87.
Macrocyclic inhibitors of the NS3 protease as potential therapeutic agents of hepatitis C virus infection 总被引:3,自引:0,他引:3
88.
Framed Discs Operads and Batalin-Vilkovisky Algebras 总被引:1,自引:0,他引:1
89.
Jean-Pierre Djukic Michel Pfeffer Nathalie Gruber-Kyritsakas André de Cian 《Journal of organometallic chemistry》2011,696(20):3268-3273
A Mn(I) tricarbonyl complex of a 1,3-diferrocenyl-1-oxopentadienyl ligand was synthesised adventitiously by what seems to be an in-situ aldol-like condensation of two acetylferrocene units promoted by benzyl-Mn(CO)5. X-ray structural analysis of this unexpected product confirms the η5 coordination of the 1,3-diferrocenyl-1-oxopentadienyl ligand to the Mn(CO)3 moiety. The nature of the metal-ligand bonding relationship was studied by theoretical calculations; it outlines the charge unbalance (polarisation) at the oxopentadienyl moiety as well as the lack of ketone character of the latter Mn-bound ligand. 相似文献
90.
Hierarchical structure in polymer‐based drug delivery systems as probed by calorimetric measurements
Pascale Valot Nathalie Sintes‐Zydowicz Jean‐Marie Nedelec Mohamed Baba 《Journal of Polymer Science.Polymer Physics》2010,48(18):1939-1945
Thermoporosimetry (TPM), a differential scanning calorimetry technique that relies on the shift of transition temperatures caused by the confinement of liquids, was applied to elucidate the complex morphology of drug‐loaded polymeric microcapsules prepared by the emulsion solvent evaporation method. For the very first time, TPM has been applied simultaneously with two liquids as structural probes. It was found that Miglyol, which dissolves the selected drug (Ibuprofen), is confined inside vesicles having a mean radius of 26.3 nm, whereas water, which is the continuous phase, is trapped inside a swollen polymeric network of Eudragit with an average mesh radius of 1.7 nm. A proposed hierarchical structure is given, which predicts that Eudragit microcapsules are formed from a collection of inert oil vesicles partitioned by polymeric Eudragit membranes swollen by water. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1939–1945, 2010 相似文献