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101.
基于多个软件的预测结果,提出了一种融合方法(ComPromoter)提高真核生物基因启动子的预测精度.ComPromoter以ProKey、FirstEF和Eponine等软件对启动子的预测结果为基础,融合了可用于启动子识别的多个特征(包括ProKey预测结果中真阳性和假阳性的出现频率随投票距离以及预测分值变化的统计特征),并利用支持向量机构建了启动子预测模型.在人类ENCODE区域测试数据集上测试的结果显示,ComPromoter的Pearson相关系数CC值高于所融合的单个启动子预测软件. 相似文献
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Quantum dot-doped mesoporous microbeads (QDMMs) are encapsulated with silica shells for enhanced chemical stability. The results show that a micro-emulsion procedure is highly efficient in coating QDMMs with polyvinyl alcohol (PVA), which is important in the subsequent deposition of a silica shell. Incorporation of fluorescent silane precursors allows direct observation of silica shells by fluorescence microscopy. The resulting silica coated QDMMs (QDMM@SiO(2)) exhibit remarkable stability against solvent-induced QD leaching and chemical-induced fluorescence quenching compared with uncoated QDMMs. Further development of this technology such as optimization of silica shell thickness, surface modification with non-fouling polymers, and conjugation with biomolecular probes will enable clinical translation of the optical barcoding technology for highly multiplexed detection and screening of genes and proteins. 相似文献
104.
采用Gadelle-Defaye法制备了全-6-氨基-β-环糊精[β-CD-(NH2)7],并用"Grafting-from"接枝法得到不同分子量的星型结构β-环糊精-g-聚L-谷氨酸(β-CD-g-PLGA).对β-CD-g-PLGA进行酰肼化改性后与醛基化海藻酸钠(ALG-CHO)通过席夫碱交联反应制备β-CD-g-PLGA/ALG水凝胶.研究了前驱体浓度以及β-CD-gPLGA分子量对β-CD-g-PLGA/ALG水凝胶性能的影响,并以疏水性辛伐他汀(SIM)为模型药物,研究了水凝胶对SIM的控制释放行为. 相似文献
105.
在pH 9.5的NH3-NH4C l缓冲溶液中,汞(Ⅱ)与双硫腙可形成能稳定存在的螯合物微粒,显示出共振散射效应。该微粒体系的最强共振散射峰在560 nm处,汞(Ⅱ)的质量浓度在0.028~6.140μg/mL范围内,共振散射与△I之间存在良好的线性关系,回归方程为△I=76.786ρ+2.7,相关系数为0.999 8,检出限0.012μg/mL Hg。利用共振散射测量水样中微量汞(Ⅱ),方法简单、灵敏度高、结果满意。 相似文献
106.
We present a generalization to our previously developed quantum wavepacket ab initio molecular dynamics (QWAIMD) method by using multiple diabatic electronic reduced single particle density matrices, propagated within an extended Lagrangian paradigm. The Slater determinantal wavefunctions associated with the density matrices utilized may be orthogonal or nonorthogonal with respect to each other. This generalization directly results from an analysis of the variance in electronic structure with quantum nuclear degrees of freedom. The diabatic electronic states are treated here as classical parametric variables and propagated simultaneously along with the quantum wavepacket and classical nuclei. Each electronic density matrix is constrained to be N-representable. Consequently two sets of new methods are derived: extended Lagrangian-QWAIMD (xLag-QWAIMD) and diabatic extended Lagrangian-QWAIMD (DxLag-QWAIMD). In both cases, the instantaneous potential energy surface for the quantum nuclear degrees of freedom is constructed from the diabatic states using an on-the-fly nonorthogonal multireference formalism. By introducing generalized grid-based electronic basis functions, we eliminate the basis set dependence on the quantum nucleus. Subsequent reuse of the two-electron integrals during the on-the-fly potential energy surface computation stage yields a substantial reduction in computational costs. Specifically, both xLag-QWAIMD and DxLag-QWAIMD turn out to be about two orders of magnitude faster than our previously developed time-dependent deterministic sampling implementation of QWAIMD. Energy conservation properties, accuracy of the associated potential surfaces, and vibrational properties are analyzed for a family of hydrogen bonded systems. 相似文献
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109.
为改善高深宽比金属微结构的电铸成型质量,采用有限元方法分析微细电铸的电场和流场的分布特点,及搅拌方式、电场和流场分布对微细电铸质量的影响。研究表明:搅拌对电铸区域的影响只集中在微区的入口部分,深度小于55μm,扩散过程成为金属沉积的限制性因素;电力线曲率随电铸深宽比增大而提高,导致电铸微区内金属离子传输能力不均匀。微细电铸过程中,搅拌速度提高并不能改善金属沉积的传质条件;辅助超声的复合搅拌在相同条件下能提高金属沉积速度,减少铸层缺陷、改善传质。实现了表面光滑、侧壁陡直的金属微结构的电铸成型。 相似文献
110.
The formation mechanism and stability of konjac glucomannan (KGM) helical structure were investigated by molecular dynamic simulation and experimental method. The results indicate that the molecular conformation of KGM is a non-typical helical structure. In detail, helical structure of KGM is mainly sustained by acetyl group, whose size and stability are affected by the molecular polymerization degree of KGM. In vacuum among the non-bonding interactions, electrostatic force is the greatest factor affecting its helical structure, but in water solution, hydrogen bond affects the helical arrangement greatly. To our interest, temperature exhibits a reversible destroying effect to some extent; the helical structure will disappear completely and present a ruleless clew-like arrangement till 341 K. This work suggests that the method of combining molecular dynamic simulation and experiment tools can be effective in the study of KGM helical structure. 相似文献