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排序方式: 共有517条查询结果,搜索用时 15 毫秒
1.
J. Schulte 《Journal of statistical physics》1993,70(5-6):1343-1347
The thermodynamic stability of4He4–13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters. 相似文献
2.
W. Hoheisel U. Schulte M. Vollmer F. Träger 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1991,20(1):381-383
This paper reports new results on the optical spectra of Na particles and on laser-induced photodissociation of Na atoms from the surface of these particles. In continuation of our earlier studies we have performed experiments to elucidate the mechanism of thenonthermal dissociation process. Furthermore, theoretical calculations have been carried out with the goal to correlate the wavelength dependence of the photodissociation yield with the optical absorption spectra of the metal particles. In addition, manipulation of the size distribution of metal particles on supports is outlined as an application of the effect. This allows for the preparation of very special surfaces with novel physical and chemical properties. 相似文献
3.
V. V. Aivazyan I. V. Ajinenko Yu. A. Belokopytov P. C. Bosetti H. B?ttcher F. Botterweck P. V. Chliapnikov F. Crijns A. De Roeck E. A. De Wolf Th. Driever K. Dziunikowska A. Eskreys W. Friebel Z. C. Garutchava V. G. Gavrjusev H. Graessler P. van Hal T. Haupt W. Kittel S. S. Megrabyan F. Meijers A. B. Micha?owska V. I. Nikolaenko L. C. S. Oliveira K. Olkiewicz L. P. Petrovikh E. Riipinen V. M. Ronjin A. M. Rybin H. M. T. Saarikko W. Schmitz L. Scholten R. Schulte O. G. Tchikilev L. A. Tikhonova A. G. Tomaradze V. A. Uvarov F. Verbeure R. Wischnewski A. Wróblewski S. A. Zotkin NA Collaboration 《Zeitschrift fur Physik C Particles and Fields》1989,42(4):533-542
Forward-backward multiplicity correlations in σ+,K + p andpp collisions at 250 GeV/c ( \(\sqrt s \) =22 GeV) are given for all charges and for the different charge combinations. The correlations are found to be caused predominantly by centrally produced particles. It is demonstrated that this result is an agreement with observations at the ISR and the CERNp \(\bar p\) -Collider. The results are compared to expectations from LUND, DPM and FRITIOF Monte Carlo models and a geometrical picture relating correlations in hadron-hadron collisions toe + e ? data in terms of impact parameters is tested. 相似文献
4.
Quantitative measurement of both bulk and localized oxygen concentrations is of importance in the study of oxidation kinetics.
We describe the combined application of two nuclear techniques, fast neutron activation analysis and (d, p) nuclear microprobe,
to the determination of oxygen concentrations and surface profiles for steam-oxidized Zircaloy-4 cladding specimens. Results
of measurements using these techniques are presented.
Work partially supported by Electric Power Research Institute Contract T.S.A. No. 20. 相似文献
5.
Conditions influencing the extent of P-C(aryl) vs P-C(alkyl) bond cleavage in the reaction of Ph(2)P(CH(2))(2)PPh(2) with lithium in THF have been investigated. The results complement and elucidate earlier work; they indicate that the mechanism of P-C bond cleavage in tertiary phosphines of this type involves a thermodynamic equilibrium between P-C(aryl) and P-C(alkyl) cleaved radicals and anions, followed by reaction and stabilization of these as lithium salts. The addition of water to the reaction mixture causes a reestablishment of the cleavage equilibrium prior to the formation of the secondary phosphines. A mechanism involving competitive release of leaving groups as the thermodynamically most stable anion or radical has been proposed. The preparation of (R, R)-(+/-)/(R, S)-PhP(H)(CH(2))(2)P(H)Ph by this route has been optimized. 相似文献
6.
Crowe MC Kapoor RN Cervantes-Lee F Párkányí L Schulte L Pannell KH Brodbelt JS 《Inorganic chemistry》2005,44(18):6415-6424
Electrospray ionization (ESI) quadrupole ion trap mass spectrometry (QIT-MS) and collisionally activated dissociation (CAD) were used to evaluate the rare-earth binding properties of two hydrophobic carbamoylmethylphosphine oxide (CMPO) ligands, the normal bidentate variety, (t-BuC6H4)2P(O)CH2C(O)N(i-Bu)2 (A), a new potentially tridentate extractant, (t-BuC6H4)2P(O)CH[CH2C(O)N(i-Bu)2]C(O)N(i-Bu)2 (B), and tributyl phosphate. The mass spectral results obtained from analysis of 1% HNO3/methanol solution containing the ligands and dissolved lanthanide salts reveal that the favorable stoichiometries of the ligand/metal/nitrate complexes are 2:1:2 for the bidentate ligand A, 1:1:2 for the tridentate ligand B, and 3:1:2 for the monodentate tributyl phosphate. These observed stoichiometries correlate with the number of available binding sites on each ligand as well as with potential steric effects. Energy-variable collisionally activated dissociation experiments showed that for the 2:1:2 complexes involving ligand A or B, as the ionic radius of the bound metal decreased, the removal of nitric acid required less energy and resulted in less extensive spontaneous solvent coordination. This experimental trend suggests that, as the ionic radius of the lanthanide ion decreases, a pair of the carbamoylmethylphosphine ligands is able to more completely solvate the bound metal ion thereby weakening the nitrate-metal interaction. 相似文献
7.
8.
C. Angulo W. H. Schulte D. Zahnow G. Raimann C. Rolfs 《Zeitschrift für Physik A Hadrons and Nuclei》1993,345(3):333-334
The absolute cross section of the fusion reaction
10B(p, 1)7
has been measured at the c.m. energy range E=48 to 159 keV via the 429 keV secondary -ray transition. The studies involved high proton currents and thick solid
10Btargets. The resulting cross sections have the same energy dependence as those of the
10B(p,0)7Bereaction but they are lower by a factor 600.Supported in part by the Deutsche Forschungsgemeinschaft (Ro429/18-2 and Ro429/21-3), the Landesamt Nordrhein Westfalen (IVA5-10600387), and the Comision Intel-ministerial de Ciencia y Technologia (AEN90-0932). 相似文献
9.
Equilibrium Measurements by the Transport Method. Determination of the Enthalpie of Formation ΔH°(NbOCl2,f) by Chemical Transport in the Diffusion Tube By means of chemical transport in an ampoule with a well defined diffusion path the equilibrium NbOCl2,s + NbCl5,g ? NbOCl3,g + NbCl4,g has been investigated. Introducing a reaction entropy ΔS = 45 cl one gets ΔH = 38(±2) kcal/formula weight and ΔH0(NbOCl2,s)= ?187,6 kcal/mol. 相似文献
10.
Zachary M. Schulte Yeon Hye Kwon Yi Han Chong Liu Lin Li Yahui Yang Austin Gamble Jarvi Sunil Saxena Gtz Veser J. Karl Johnson Nathaniel L. Rosi 《Chemical science》2020,11(47):12807
Metal–organic frameworks constructed from multiple (≥3) components often exhibit dramatically increased structural complexity compared to their 2 component (1 metal, 1 linker) counterparts, such as multiple chemically unique pore environments and a plurality of diverse molecular diffusion pathways. This inherent complexity can be advantageous for gas separation applications. Here, we report two isoreticular multicomponent MOFs, bMOF-200 (4 components; Cu, Zn, adeninate, pyrazolate) and bMOF-201 (3 components; Zn, adeninate, pyrazolate). We describe their structures, which contain 3 unique interconnected pore environments, and we use Kohn–Sham density functional theory (DFT) along with the climbing image nudged elastic band (CI-NEB) method to predict potential H2/CO2 separation ability of bMOF-200. We examine the H2/CO2 separation performance using both column breakthrough and membrane permeation studies. bMOF-200 membranes exhibit a H2/CO2 separation factor of 7.9. The pore space of bMOF-201 is significantly different than bMOF-200, and one molecular diffusion pathway is occluded by coordinating charge-balancing formate and acetate anions. A consequence of this structural difference is reduced permeability to both H2 and CO2 and a significantly improved H2/CO2 separation factor of 22.2 compared to bMOF-200, which makes bMOF-201 membranes competitive with some of the best performing MOF membranes in terms of H2/CO2 separations.Tailorable multicomponent MOFs and MOF membranes for efficient H2/CO2 separation. 相似文献