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The spin‐dependent transport properties, including spin polarization and spin‐flip for phosphorene superlattice in the presence of an extrinsic Rashba spin‐orbit interaction (RSOI) based on the transfer matrix method, are studied. The results show that the number of barriers in the superlattice structure plays a dominant role in output spin polarization, which can be used in designing optimized spintronic devices. In addition, by controlling on the Rashba strength, an incident spin‐up electron can be transmitted as a spin‐down electron. Also, it enables to convert the unpolarized incident electronic beam (with zero spin polarization) into an arbitrary output spin polarization, which plays a significant role in qubit circuits. 相似文献
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Daiyong Wu 《Journal of Difference Equations and Applications》2017,23(11):1765-1806
In this paper, complex dynamics of the discrete predator–prey model with the prey subject to the Allee effect are investigated in detail. Firstly, when the prey intrinsic growth rate is not large, the basins of attraction of the equilibrium points of the single population model are given. Secondly, rigorous results on the existence and stability of the equilibrium points of the model are derived, especially, by analyzing the higher order terms, we obtain that the non-hyperbolic extinction equilibrium point is locally asymptotically stable. The existences and bifurcation directions for the flip bifurcation, the Neimark–Sacker bifurcation and codimension-two bifurcations with 1:2 resonance are derived by using the center manifold theorem and the bifurcation theory. We derive that the model only exhibits a supercritical flip bifurcation and it is possible for the model to exhibit a supercritical or subcritical Neimark–Sacker bifurcation at the larger positive equilibrium point. Chaos in the sense of Marotto is proved by analytical methods. Finally, numerical simulations including bifurcation diagrams, phase portraits, sensitivity dependence on the initial values, Lyapunov exponents display new and rich dynamical behaviour. The analytic results and numerical simulations demonstrate that the Allee effect plays a very important role for dynamical behaviour. 相似文献
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The paper studies a codimension-4 resonant homoclinic bifurcation with one orbit flip and two inclination flips, where the resonance takes place in the tangent direction of homoclinic orbit.Local active coordinate system is introduced to construct the Poincar′e returning map, and also the associated successor functions. We prove the existence of the saddle-node bifurcation, the perioddoubling bifurcation and the homoclinic-doubling bifurcation, and also locate the corresponding 1-periodic orbit, 1-homoclinic orbit, double periodic orbits and some 2n-homoclinic orbits. 相似文献
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Juanxia Kang Yongcheng Wang Jingjing Wu Zhiming Zhu 《International journal of quantum chemistry》2020,120(5):e26109
In order to further explore the detailed reaction mechanism of carbon dioxide activated by [Re(CO)2]+ complex, CCSD(T) methods was performed to determine related potential energy surface (PES). Crossing point is determined by using a partially optimized method. The result shows that larger spin-orbital coupling (155.37 cm−1) and intersystem crossing probabilities in spin-forbidden region causes the electron to spin flip at the minimum energy crossing point and access to the lower singlet PES. Nonadiabatic rate constant k is estimated to be quite rapid, so transition state (1TS1) is rate-controlled steps. In addition, the electronic structure of oxygen-atom transfer process is further analyzed by localized molecular orbital and Mayer bond order. The analysis finds that the form of main bonding orbital is the electron contribution from the p(O) in CO2 to the empty d(Re) orbital. 相似文献
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The photoisomerization of 11‐cis‐retinal protonated schiff base in gas phase: Insight from spin‐flip density functional theory 下载免费PDF全文
Panwang Zhou Jianyong Liu Keli Han Guozhong He 《Journal of computational chemistry》2014,35(2):109-120
This extensive theoretical study employed the spin‐flip density functional theory (SFDFT) method to investigate the photoisomerization of 11‐cis‐retinal protonated Schiff base (PSB11) and its minimal model tZt‐penta‐3,5‐dieniminium cation (PSB3). Our calculated results indicate that SFDFT can perform very well in describing the ground‐ and excited‐state geometries of PSB3 and PSB11. We located the conical intersection (CI) point and constructed the photoisomerization reaction path of PSB3 and PSB11 by using the SFDFT method. To further verify the SFDFT results, we computed the energy profiles along the constructed linearly interpolated internal coordinate (LIIC) pathways by using high‐level theoretical methods, such as the EOM‐CCSD, CR‐EOM‐CCSD(T), CASPT2, NEVPT2, and XMCQDPT2 methods. The SFDFT method predicts that the photoisomerization of PSB3 is barrierless, in accordance with previous complete‐active‐space self‐consistent‐field (CASSCF) results. However, an energy barrier is predicted along the LIIC pathways of PSB11. This finding is different from previous CASSCF results and may indicate that the photoisomerization of PSB11 in gas phase is similar to that in solution. However, the higher spin contamination of the SFDFT method in the vicinity of the CI point caused the located CI geometry to deviate from that of the real CI. In addition, the LIIC pathways are only approximations to the minimum energy path (MEP). Thus, further experimental and theoretical studies are needed to verify the existence of an energy barrier along the photoisomerization reaction path of PSB11 in gas phase. © 2013 Wiley Periodicals, Inc. 相似文献