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621.
We prove that a tight-binding ladder network composed of atomic sites with on-site potentials distributed according to the quasiperiodic Aubry model can exhibit a metal-insulator transition at multiple values of the Fermi energy. For specific values of the first and second neighbor electron hopping, the result is obtained exactly. With a more general model, we numerically calculate the two-terminal conductance. The numerical results corroborate the analytical findings. 相似文献
622.
We study the thermodynamic and kinetic consequences of the competition between single-protein folding and protein-protein
aggregation using a phenomenological model, in which the proteins can be in the unfolded (U), misfolded (M) or folded (F)
states. The phase diagram shows the coexistence between a phase with aggregates of misfolded proteins and a phase of isolated
proteins (U or F) in solution. The spinodal at low protein concentrations shows non-monotonic behavior with temperature, with
implications for the stability of solutions of folded proteins at low temperatures. We follow the dynamics upon “quenching”
from the U-phase (cooling) or the F-phase (heating) to the metastable or unstable part of the phase diagram that results in
aggregation. We describe how interesting consequences to the distribution of aggregate size, and growth kinetics arise from
the competition between folding and aggregation. 相似文献
623.
Bhattacharjee Maitri Boruah Smriti Rekh Dutta Purkayastha R. N. Maniukiewicz Waldemar Chowdhury Shubhamoy Maiti Debasish Akhtar Tamanna 《无机化学学报》2024,40(7):1409-1422
以甲醇为介质,合成了3种新的席夫碱配体HL1(2-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)、HL2(4-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)和 L3(2-methoxybenzaldehyde2-(2-oxo- 1,2-diphenylethylidene)hydrazone)的Cu(Ⅱ)配合物1~3。通过元素分析、光谱方法、磁化率测量和密度泛函理论(DFT)计算对配合物进行了表征。通过单晶X射线衍射研究对合成的配体进行了结构表征。通过DFT计算确定了配合物的优化结构。通过紫外可见吸收光谱和荧光发射光谱研究了配合物与小牛胸腺DNA(CT-DNA)的结合能力。吸收光谱研究揭示了增色效应,并提出了与CT-DNA相互作用的可能模式。溴化乙锭(EB)竞争结合研究表明,配合物可以取代 DNA-EB 加合物中的 DNA,且配合物可能以嵌入模式与 CT-DNA结合。配合物对革兰氏阴性肺炎克雷伯菌、大肠杆菌、鲍氏志贺菌和革兰氏阳性金黄色葡萄球菌的体外抗菌活性研究表明,配合物2对肺炎克雷伯菌和鲍氏志贺菌具有明显抗菌活性,但配合物1和3没有表现出任何显著的抗菌活性。 相似文献
624.
Mazen Elsaid Robbie Ge Dr. Chong Liu Prof. Dr. Debabrata Maiti Prof. Haibo Ge 《Angewandte Chemie (International ed. in English)》2023,62(25):e202303110
Carbazole alkaloids hold great potential in pharmaceutical and material sciences. However, the current approaches for C1 functionalization of carbazoles rely on the use of a pre-installed directing group, severely limiting their applicability and hindering their overall efficiency. Herein, we report for the first time the development of direct Pd-catalyzed C−H alkylation and acylation of carbazoles assisted by norbornene (NBE) as a transient directing mediator. Notably, the involvement of a six-membered palladacycle intermediate was suggested in this case, representing the first example of such intermediacy within the extensively studied Pd/norbornene reactions realm. 相似文献
625.
In this work, we consider a frustrated two-leg spin-1/2 ladder composed of Heisenberg ferromagnetic and antiferromagnetic spin-1/2 chains, and nearest spins from different legs interact via Heisenberg type rung exchange interactions that can be either ferromagnetic or antiferromagnetic in nature. The competing exchange interactions in the system lead to five different quantum phases like ferromagnetic, non-collinear ferrimagnetic (NCF), , antiferromagnetic and dimer phases. The quantum phase diagram is constructed for the Heisenberg spin-1/2 model and the phases are characterized using the correlation functions which are calculated by the density matrix renormalization group method. We also analyze the stability of phase and calculate the pitch angle in the NCF phase. 相似文献
626.
A new route to obtain a large figure of merit (>1) is reported, for the first time, by considering a one-dimensional quasiperiodic lattice where an electron can hop beyond usual nearest-neighbor sites. A finite positional correlation is imposed among the constituent lattice sites, following the well-known Aubry-André-Harper (AAH) form. In the presence of second-neighbor hopping, the AAH lattice exhibits energy dependent mobility edge which plays the central role for efficient energy conversion. Employing a tight-binding framework, all the thermoelectric quantities are computed based on the standard nonequilibrium Green's function formalism. The analysis can be utilized to investigate thermoelectric phenomena in similar kinds of other aperiodic systems possessing higher order electron hopping. 相似文献
627.