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81.
Fernandez E Ford WT Qi N Read AL Smith JG Camporesi T De Sangro R Marini A Peruzzi I Piccolo M Ronga F Blume HT Hurst RB Venuti JP Wald HB Weinstein R Band HR Gettner MW Goderre GP Meyer OA Moromisato JH Polvado RO Shambroom WD Sleeman JC von Goeler E Ash WW Chadwick GB Clearwater SH Coombes RW Kaye HS Lau KH Leedy RE Lynch HL Messner RL Moss LJ Muller F Nelson HN Ritson DM Rosenberg LJ Wiser DE Zdarko RW Groom DE Lee HY Delfino MC Heltsley BK Johnson JR Lavine TL Maruyama T Prepost R 《Physical review letters》1985,54(11):1118-1121
82.
Bor-Stickstoff-Verbindungen. 88. Borderivate von pyridylalkylaminen Die Umsetzung von 2-Aminomethylpyridin oder 2-Aminoäthylpyridin mit Trialkylboranen im Molverhältnis 1:2 führt zu Zwischenprodukten, deren Thermolyse (2-Pyridylalkylamino)dialkylborane C5H4N? 2-(CH2)n? NH? BR2 (n = 1, 2; R ? C2H5, n-C3H7) ergibt. Kernresonanzspektroskopische Untersuchungen an diesen Verbindungen zeigen, daß im Falle von R ? C2H5 ein intramolekularer bicyclischer Komplex mit vierbindigem Bor vorliegt. Ist R ? C3H7, so liegt für n = 1 eine entsprechende Struktur neben der nicht koordinierten Verbindung mit dreibindigem Bor vor, während für n = 2 ausschließlich letztere Struktur existiert. Das Verhalten der beiden Basen bei Umsetzungen mit vierfach koordiniertem Bor ist dagegen gleichartig. So findet mit Trimethylamin-Boran in beiden Fällen gleichzeitige Basenverdrängung und Kondensation statt, was zu Amin-Aminoboranen H2B? NH? (CH2)n? C5H4N? BH3 führt, während die Reaktion mit Trimethylamin-Iodboran unter Verdrängung von Base und Iodidion zu Boronium(1+)-Salzen führt. 相似文献
83.
Spencer J Read J Sessions RB Howell S Blackburn GM Gamblin SJ 《Journal of the American Chemical Society》2005,127(41):14439-14444
Metallo-beta-lactamases are zinc-dependent enzymes responsible for resistance to beta-lactam antibiotics in a variety of host bacteria, usually Gram-negative species that act as opportunist pathogens. They hydrolyze all classes of beta-lactam antibiotics, including carbapenems, and escape the action of available beta-lactamase inhibitors. Efforts to develop effective inhibitors have been hampered by the lack of structural information regarding how these enzymes recognize and turn over beta-lactam substrates. We report here the crystal structure of the Stenotrophomonas maltophilia L1 enzyme in complex with the hydrolysis product of the 7alpha-methoxyoxacephem, moxalactam. The on-enzyme complex is a 3'-exo-methylene species generated by elimination of the 1-methyltetrazolyl-5-thiolate anion from the 3'-methyl group. Moxalactam binding to L1 involves direct interaction of the two active site zinc ions with the beta-lactam amide and C4 carboxylate, groups that are common to all beta-lactam substrates. The 7beta-[(4-hydroxyphenyl)malonyl]-amino substituent makes limited hydrophobic and hydrogen bonding contacts with the active site groove. The mode of binding provides strong evidence that a water molecule situated between the two metal ions is the most likely nucleophile in the hydrolytic reaction. These data suggest a reaction mechanism for metallo-beta-lactamases in which both metal ions contribute to catalysis by activating the bridging water/hydroxide nucleophile, polarizing the substrate amide bond for attack and stabilizing anionic nitrogen intermediates. The structure illustrates how a binuclear zinc site confers upon metallo-beta-lactamases the ability both to recognize and efficiently hydrolyze a wide variety of beta-lactam substrates. 相似文献
84.
Csorna SE Garren L Mestayer MD Panvini RS Yi X Alam MS Avery P Bebek C Berkelman K Cassel DG Copie T DeSalvo R DeWire JW Ehrlich R Ferguson T Galik R Gilchriese MG Gittelman B Halling M Hartill DL Holzner S Ito M Kadaswamy J Kreinick DL Kubota Y Mistry NB Nordberg E Ogg M Peterson D Perticone D Read K Silverman A Stein PC Stone S Kezun X Sadoff AJ Giles RT Hassard J Hempstead M Kinoshita K McKay WW Pipkin FM Wilson R Haas P Jensen T Kagan H Kass R Behrends S Gentile T Guida JM Guida JA Morrow F 《Physical review letters》1985,54(17):1894-1897
85.
86.
The multiple try Metropolis (MTM) method is a generalization of the classical Metropolis–Hastings algorithm in which the next state of the chain is chosen among a set of samples, according to normalized weights. In the literature, several extensions have been proposed. In this work, we show and remark upon the flexibility of the design of MTM-type methods, fulfilling the detailed balance condition. We discuss several possibilities, show different numerical simulations and discuss the implications of the results. 相似文献
87.
88.
Lagrangian stirring in a thermally driven rotating annulus is investigated numerically using a Navier-Stokes model and a second order Runge-Kutta integration routine. The stirring properties are investigated using finite scale Lyapunov exponents, Lagrangian coherent structures and a leaking method. The ability of these measures to identify transport barriers, regions of well and poorly stirred flow, and stable and unstable manifolds is investigated, as well as the stirring properties of the annulus flow. It is found that finite scale Lyapunov exponents characterise the stirring properties of flows occurring in the rotating annulus more efficiently than the leaking method or Lagrangian coherent structures. The strength of the stirring varies monotonically with thermal forcing amplitude, but non-monotonically with forcing frequency. The flows investigated are axisymmetric (i.e. two dimensional) and time dependent. 相似文献
89.
Dorfmueller HC Borodkin VS Schimpl M Zheng X Kime R Read KD van Aalten DM 《Chemistry & biology》2010,17(11):1250-1255
Posttranslational modification of metazoan nucleocytoplasmic proteins with N-acetylglucosamine (O-GlcNAc) is essential, dynamic, and inducible and can compete with protein phosphorylation in signal transduction. Inhibitors of O-GlcNAcase, the enzyme removing O-GlcNAc, are useful tools for studying the role of O-GlcNAc in a range of cellular processes. We report the discovery of nanomolar OGA inhibitors that are up to 900,000-fold selective over the related lysosomal hexosaminidases. When applied at nanomolar concentrations on live cells, these cell-penetrant molecules shift the O-GlcNAc equilibrium toward hyper-O-GlcNAcylation with EC?? values down to 3 nM and are thus invaluable tools for the study of O-GlcNAc cell biology. 相似文献
90.