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81.
82.
S. Barlag H. Becker T. Böhringer M. Bosman V. Castillo V. Chabaud D. Buchholz C. Damerell C. Daum H. Dietl H. Fawcett S. Gill A. Gillman R. Gilmore T. Gooch L. Görlich P. Gras Z. Hajduk E. Higon B. D. Hyams D. P. Kelsey J. Kemmer R. Klanner U. Kötz S. Kwan B. Lücking G. Lütjens G. Lutz J. Malos W. Männer E. Neugebauer H. Palka M. Pepe J. Richardson G. De Rijk K. Rybicki H. J. Seebrunner U. Stierlin H. G. Tiecke M. Turala G. Waltermann S. Watts P. Weilhammer F. Wickens L. W. Wiggers M. Witek A. Wylie T. Zeludziewicz ACCMOR Collaboration 《Zeitschrift fur Physik C Particles and Fields》1988,39(4):451-460
The NA 32 experiment at the CERN SPS has collected 38 million hadronic interactions with incident 200 GeV/c π?,K ? andp beam. Using a segmented silicon active target and a telescope of high resolution silicon microstrip counters we have selected fully reconstructedD 0→K ?π+,D 0→K ?π+π+π?,D +→K ?π+π+,D s + →K ? K +π+π+ and charge conjugate decays. The integrated cross-sections forD o,D + D *+ andD s + meson production and the dependence of the cross-section on longitudinal and transverse momentum of theD are presented. 相似文献
83.
The second‐order multireference perturbation theory using an optimized partitioning, denoted as MROPT(2), is applied to calculations of various molecular properties—excitation energies, spectroscopic parameters, and potential energy curves—for five molecules: ethylene, butadiene, benzene, N2, and O2. The calculated results are compared with those obtained with second‐ and third‐order multireference perturbation theory using the traditional partitioning techniques. We also give results from computations using the multireference configuration interaction (MRCI) method. The presented results show very close resemblance between the new method and MRCI with renormalized Davidson correction. The accuracy of the new method is good and is comparable to that of second‐order multireference perturbation theory using Møller‐Plesset partitioning. © 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1390–1400, 2003 相似文献
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Analytical formulation of the second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding (SCC-DFTB) method is presented. To test its quality and numerical performance, the derived formalism has been coded and applied for calculation of harmonic vibrational frequencies for a set of 17 small and medium size molecules. For this set, the average absolute deviation from experiment is 99 cm(-1) for SCC-DFTB vs 62 cm(-1) for the M?ller-Plesset second-order perturbation theory with the cc-pVDZ basis set (MP2/cc-pVDZ) and 32 cm(-1) for the B3LYP density functional method with the same basis set (B3LYP/cc-pVDZ), while the maximal deviation is 465 cm(-1) vs 1,741 cm(-1) for MP2/cc-pVDZ and 112 cm(-1) for B3LYP/cc-pVDZ. The SCC-DFTB results are in reasonable agreement with experiments as well as with ab initio and density-functional results, and are better than other semiempirical methods. The SCC-DFTB method allows for considerable computational time saving when compared to other methods while retaining similar overall accuracy. Data for a series of conjugated polyenes show that an analytical formulation of SCC-DFTB is noticeably faster than its numerical formulation. 相似文献
87.
Much is known about the connection between the growth and decayof subharmonic functions. The results indicate that there isa general principle: asubharmonic function cannot decay toofast relative to its growth.Three theorems are provedwhich, together with work previously published elsewhere, givea fairly complete account of how this principle works out fora subharmonic function having extremal decay along a ray. 1991Mathematics Subject Classification: 30D20, 31A05. 相似文献
88.
Previously it was shown that four different aliphatic polyamines can be quantitatively electrooxidized at boron-doped diamond thin film electrodes without derivatization or the use of pulsed voltammetric waveforms [Anal. Chem. 71 (1999) 1188; Anal. Chem. 69 (1997) 4041]. The flow injection analysis (FIA-EC) investigation (amperometric detection mode) of cadaverine (CAD), putrescine (PUT), spermine (SPM) and spermidine (SPMD), reported previously [Anal. Chem. 71 (1999) 1188], are updated herein with particular emphasis on the electrode response variability and stability. Most of the measurements were made with a film deposited from a 0.50% methane-to-hydrogen (C/H) volumetric ratio. In general, films deposited with C/H ratios near this value tend to possess the requisite physicochemical properties to support anodic oxygen transfer reactions. The electrode performance was evaluated in terms of the linear dynamic range, limit of quantitation, response variability and response stability. A linear dynamic range from 1.0 μM to 1.0 mM and a limit of quantitation of 1.0 μM or 20 pmol injected (S/N≥3) were found for CAD, PUT, and SPMD. For SPM, a linear dynamic range from 0.32 μM to 1.0 mM and a limit of quantitation of 0.32 μM or 6.4 pmol were observed. The response variability, as low as 2–4%, was observed which is vastly improved over previous results. The improvement was achieved by introducing a 3–6 min delay period between injections. The long-term response stability was good with no evidence for any progressive response attenuation or complete fouling by the reaction product, even though a solid deposit was observed to accumulate on the electrode surface with extended use. The deposit appears to partially reduce the active electrochemical area for polyamine oxidation and to decrease the overpotential for water discharge. Preliminary chromatographic results demonstrated the possibility of separating and detecting the polyamines by a simple reverse-phase scheme at constant applied potential. 相似文献
89.
Ewa Witek Andrzej Kochanowski Edgar Bortel 《Macromolecular rapid communications》2000,21(16):1108-1112
The attempt was made to prepare an ionene like base by reacting diethylamine (DEA) with glycidol (Gly). It turned out that the reaction proceeds via two steps witch differ significantly. When the rate of added DEA to Gly in bulk becomes 1 : 13 the temperature jumps up suddenly. The product proved to be a water soluble oligomer having a molecular weight of Mn > 465 g/mol, a nitrogen content of 1.06%, and pH 9.5. Based on the 13C NMR and IR spectra, schemes of polyreactions were proposed according to which amine groups containing moieties of low molecular weight are formed. These subsequently function as initiators of Gly homopolymerization according to a chain mechanism. 相似文献
90.