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361.
Wormser G Abrams G Amidei D Baden AR Barklow T Boyarski AM Boyer J Burchat PR Burke DL Butler F Dorfan JM Feldman GJ Gidal G Gladney L Gold MS Goldhaber G Golding L Haggerty J Hanson G Hayes K Herrup D Hollebeek RJ Innes WR Jaros JA Juricic I Kadyk JA Karlen D Klein SR Lankford AJ Larsen RR LeClaire BW Levi M Lockyer NS Lüth V Nelson ME Ong RA Perl ML Richter B Riles K Rowson PC Schaad T Schellman H Schmidke WB Sheldon PD Trilling GH Wood DR Yelton JM 《Physical review letters》1988,61(9):1057-1060
362.
Yelton JM Dorfan JM Abrams GS Amidel D Baden AR Barklow T Boyarski AM Boyer J Breidenbach M Burchat P Burke DL Butler F Feldman GJ Gladney LD Gidal G Gold MS Goldhaber G Golding L Haggerty J Hanson G Hayes K Herrup D Hollebeek RJ Innes WR Jaros JA Juricic I Kadyk JA Karlen D Lankford AJ Larsen RR Leclaire BW Levi ME Lockyer NS Lüth V Matteuzzi C Nelson ME Ong RA Perl ML Richter B Riles K Ross MC Rowson PC Schadd T Schellman H Schmidke WB Sheldon PD Trilling GH de la Vaissiere C Wood DR Zaiser C 《Physical review letters》1986,56(8):812-814
363.
Schmidke WB Abrams GS Matteuzzi C Amidei D Baden AR Barklow T Boyarski AM Boyer J Breidenbach M Burchat PR Burke DL Butler F Dieterle WE Dorfan JM Feldman GJ Gidal G Gladney L Gold MS Goldhaber G Golding LJ Haggerty J Hanson G Hayes K Herrup D Hollebeek RJ Innes WR Jaros JA Juricic I Kadyk JA Karlen D Klein SR Lankford AJ Larsen RR LeClaire BW Levi ME Lockyer NS Lüth V Nelson ME Ong RA Perl ML Richter B Riles K Ross MC Rowson PC Schaad T Schellman H Sheldon PD Trilling GH de la Vaissiere C 《Physical review letters》1986,57(5):527-530
364.
Boyer J Butler F Gidal G Abrams G Amidei D Baden AR Gold MS Golding L Goldhaber G Haggerty J Herrup D Juricic I Kadyk JA Levi ME Nelson ME Rowson PC Schellman H Schmidke WB Sheldon PD Trilling GH Wood DR Barklow T Boyarski A Burchat P Burke DL Cords D Dorfan JM Feldman GJ Gladney L Hanson G Hayes K Hollebeek RJ Innes WR Jaros JA Karlen D Lankford AJ Larsen RR LeClaire BW Lockyer NS Lüth V Ong RA Perl ML Richter B Riles K Yelton JM Schaad T 《Physical review D: Particles and fields》1990,42(5):1350-1367
365.
We are introducing a computer implementation of the mathematical model of zone electrophoresis (CZE) described in Stedry, M., Jaros, M., Hruska, V., Gas, B., Electrophoresis 2004, 25, 3071-3079 program PeakMaster. The computer model calculates eigenmobilities, which are the eigenvalues of the matrix tied to the linearized continuity equations, and which are responsible for the presence of system eigenzones (system zones, system peaks). The model also calculates other parameters of the background electrolyte (BGE)-pH, conductivity, buffer capacity, ionic strength, etc., and parameters of the separated analytes--effective mobility, transfer ratio, molar conductivity detection response, and relative velocity slope. This allows the assessment of the indirect detection, conductivity detection and peak broadening (peak distortion) due to electromigration dispersion. The computer model requires the input of the BGE composition, the list of analytes to be separated, and the system instrumental configuration. The output parameters of the model are directly comparable with experiments; the model also simulates electropherograms in a user-friendly way. We demonstrate a successful application of PeakMaster for inspection of BGEs having no stationary injection zone. 相似文献
366.
Stepień M Latos-Grazyński L Szterenberg L Panek J Latajka Z 《Journal of the American Chemical Society》2004,126(14):4566-4580
Weak metal-arene interactions have been investigated in Zn, Cd, Hg, and Ni complexes of meso-tetraaryl m- and p-benziporphyrin (1 and 2) and of the new compound, m-benziporphodimethene (3). Compounds 1-3 incorporate the phenylene moiety into a macrocyclic structure so as to facilitate the interaction between the arene and coordinated metal ion. X-ray studies performed on Cd(II) and Ni(II) complexes show that the arene fragment approaches the ion at a distance much shorter than the sum of van der Waals radii. In chloronickel(II) m-benziporphyrin, a weak agostic bond is actually formed. In the NMR spectra of the Cd(II) and Hg(II) species, unusual (1)H-M and (13)C-M scalar couplings have been observed that are transmitted directly between the metal and the arene. DFT calculations performed for two Cd(II) species and subsequent AIM analysis show that the accumulation of electron density between the metal and arene necessary to induce these couplings is fairly small and the interaction is steric in nature. In the paramagnetic Ni(II) complexes of 1 and 3, the agostic proton of the m-phenylene exhibits large downfield (1)H NMR shifts (386 and 208 ppm at 298 K, respectively). An agostic mechanism of spin density transfer is proposed to explain these shifts as resulting from electron donation from the CH bond to the metal. In chloronickel(II) p-benziporphyrin, the inner protons of the p-phenylene have a contrastingly small shift (0.0 ppm at 298 K), indicating that in this case the agostic interaction is inefficient, in agreement with the X-ray data. 相似文献
367.
Jaros?aw Poznański 《Thermochimica Acta》2004,409(1):25-32
Concentration dependence of NaCl salting of lysozyme was investigated in the range of 0.5-9 mM lysozyme concentration in 0.1 M sodium acetate buffer, pH=4.25and the concentration of NaCl up to 0.1 M. Calorimetric experiments were performed with the use of a titration ITC Omega MicroCal calorimeter. It was found that the estimated number of bonding sites depended on the lysozyme concentration. For infinitely diluted lysozyme solution, the number of binding sites could be roughly estimated to ∼50. In the range of 2-9 mM protein concentration, the number of weakly binding (K=2.7±0.8 M−1) sites on the protein surface was estimated to 35±7. McMillan and Mayer’s approach reduced to the third order virial coefficients demonstrates that besides the dominating effect of the protein—salt interaction (a11) the coefficient describing the lysozyme aggregation upon salt addition (a12) is statistically significant. 相似文献
368.
Wojciech KrasodomskiMicha? K ?uczyński Jaros?aw WilamowskiJanusz J Sepio? 《Tetrahedron》2003,59(30):5677-5683
The study has been carried out to evaluate the feasibility of synthesis of 1-methyl-, 2-methyl-, 1,2-dimethyl-, and 1-ethyl-2-methylphenanthrene through the annulation of the naphthalene system with the exploitation of the dicyanovinyl moiety of 2-naphthylalkylidenemalonodinitriles as an active electrophile in cold solutions of concentrated sulfuric acid. 2-(2-Naphthyl)propanal (3), 1-(2-naphthyl)propan-2-one (9), 3-(2-naphthyl)butan-2-one (14), and 3-(2-naphthyl)pentan-2-one (19) had been condensed with malonodinitrile to afford 2-naphthylalkylidenemalonodinitriles which were then cyclised to give 4-amino-1-methylphenanthrene-3-carbonitrile (5), 4-amino-2-methylphenanthrene-3-carbonitrile (11), 4-amino-1,2-dimethylphenanthrene-3-carbonitrile (16), and 4-amino-1-ethyl-2-metylphenanthrene-3-carbonitrile (21). The nitrile function has been removed from the aminonitriles, with the exception of 21, through hydrolysis and decarboxylation in alkaline ethanolic solutions under elevated pressure (∼3 MPa) and temperature 220-230°C to give the respective 4-amino-methylphenanthrenes. Diazotisation of the phenanthreneamines and the reaction with hypophosphorus acid has lead to the methylphenanthrenes in moderate yields (50-52%). 相似文献
369.
Polański J Gieleciak R Bak A 《Journal of chemical information and computer sciences》2002,42(2):184-191
A self-organizing neural network was used to design a novel method capable of the quantitative prediction of molecular properties. The method is based on the comparison of molecular surfaces performed by the coupled neural network and PLS system. Unlike CoMFA and related methods it does not compare the properties describing a discrete set of points but the average property values calculated for a certain area of the molecular surface. It has been found that the results of the PLS analysis of the series of the comparative matrices of the molecular electrostatic potential (MEP) are quite stable. Also the results only slightly depend on such parameters as the number of points sampled at the molecular surface (D) or a winning distance (MD) of the self-organizing neurons. The influence of these parameters for modeling the effects limited by steric and electronic effects was determined and the pK(a) values of the ortho-, meta-, and para- (o-, m-, p-) analogues of benzoic acid and selected alkanoic acids were predicted. We generally found that for the series analyzed CoMSA gave better models than CoMFA. 相似文献
370.