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61.
62.
B3LYP/6-31++G** method was applied to investigate the mechanism of alanine isomerization.12 minima and 22 transition states were obtained after optimization and several paths of isomerization were found.It is found that intramolecular single-bond rotation and proton transfer might lead to isomerization.The energy barrier of C–N bond rotation was lower than 2.52 kcal·mol 1,while the energy barrier ranges of the rotation of C–C and C–O were separately 0.43~ 7.01 and 4.69~12.19 kcal·mol 1,and the minimum energy barrier of proton transfer was 30.76 kcal·mol 1.The most probable isomerization path and mechanism for the two most stable conformations was discussed to find that the highest energy barrier to be crossed in this path was 11.87 kcal·mol 1.In order to understand the microscopic nature why only 4 conformations were detected in the experiment,thermodynamic properties of all conformations at the experimental temperature of 391 K was calculated.It is found that conformations XII,XI,X and IX can only unidirectionally convert into conformations rapidly with low energy and vanish immediately.The other conformations were distributed according to Maxwell-Boltzman's law,and the distribution probabilities of conformations I,II,III,IV,V,VI,VII and VIII were respectively 27.2%,26.5%,25.8%,6.4%,5.2%,4.8%,2.5% and 1.6%.Conformations I,II and III with bigger probability and stronger absorption peak were easy to detect in the experiment.Conformation IV had a relatively smaller probability(6.4%) and weak absorption peak which,however,could also be identified.The other conformations had too small probability to identify in the spectrum. 相似文献
63.
蛋白质翻译后脂修饰是指蛋白质在核糖体合成后与疏水脂质分子的共价结合.在已知共价化学修饰中,脂质分子独特的物理化学性质赋予了蛋白质特殊的结构和功能,并极大地影响蛋白质的膜锚定能力、转运和定位途径、信号转导以及蛋白质相互作用等.多样化的脂质结构和结合方式决定了脂修饰蛋白功能的复杂性,这些脂修饰蛋白与其他已知或未知修饰蛋白一起,在细胞多层次交叉调控信号转导通路中互相影响,协同作用,从而实现对生理活动的精细调控.开展蛋白质翻译后脂修饰结构与功能分析是揭示微生物感染、免疫调节、肿瘤发生发展等机制的重要途径,对发现和筛选疾病标志物以及挖掘新型药物靶标具有重要意义. 相似文献
64.
郑帆方芳刘玲玲曹建明赵长容 《广东微量元素科学》2015,(5):29-33
目的建立了简单、灵敏的测定人血清中总蛋白的新方法。方法在pH3.5的B—R缓冲溶液中,往偶氮氯磷Ⅲ-Cu(Ⅱ)体系中加入蛋白质,体系的共振散射信号线形增加,根据信号增加值计算蛋白质含量。结果该法的线性范围为0~1.6mg/L,检出限为11.5μg/L,回收率为97.5%~105.3%,批内变异系数和批间变异系数分别为1.0%、2.4%。将该法用于人血清中蛋白质的测定,与医院测定结果一致。结论该法灵敏、快速、简便,具有一定的实用价值。 相似文献
65.
<正>PTPMEG1 is an intracellular protein tyrosine phosphatase(PTP),which contains FERM and PDZ domains. This study focuses our attention on the expression,purification and characterization of catalytic domain of PTPMEG1(△MEG1) and preparation of its polyclonal antibody.A cDNA fragment encoding△MEG1 protein(amino acid residues 643—926) was amplified by PCR and then cloned into the pT7-7 vector.Both soluble and insoluble recombinant△MEG1 proteins were observed after induction by IPTG.Soluble△MEG1 was purified via two chromatographic steps,and the purified enzyme was characterized.With para-nitrophenylphosphate(pNPP) as a substrate,△MEG1 exhibited typical enzymatic characteristics of classic PTPs and classical Michaelis-Menten kinetics.Insoluble△MEG1,which was mainly distributed in the inclusion body of E.coli cells extracts,was purified by preparative electrophoresis gel for the preparation of the polyclonal antibody.A rabbit was immunized with△MEG1 purified by preparative electrophoresis to generate anti-△MEG1 antibody.Anti-serum was collected on 28th day after initial injection and purified via affinity chromatography.The purified polyconal antibody displayed a satisfactory titer and sensitivity. 相似文献
66.
Microsolvation of glycine in methanol clusters is explored by the use of DFT calculation method. The lowest energy conformations within 16.72 kJ·mol-1 of the glycine clustering with one to six methanol molecules, which are obtained at the B3LYP/6-31+G(d) level of theory, are reoptimized at PBE1PBE/6-311+G(d,p). The calculated results agree with our previous results with B3LYP (Chin. J. Chem. Phys. 22 (2009) 577) that the clusters of two forms (Z-and N-form) tend to be isoenergetic when the number of the solvate molecules reaches six. Furthermore, this result is in good agreement with the experiment of the tryptophan-methanol clusters, implying that the present treatments are reasonable and reliable. The results also indicate that nine methanol molecules are not enough to fully solvate a glycine molecule, and a tentative estimation is obtained that ten methanol molecules may fully solvate a glycine molecule, which consists with the experiment results. 相似文献
67.
68.
Studies on the Molecular Chain Conformation Stability of Aminated Konjac Glucomannan 总被引:2,自引:0,他引:2
Konjac glucomannan (KGM) was aminated by 2-chloroethyl-amine (CEA) as reagent so as to study the influence of concentration of CEA (based on the amount of KGM), concentration of NaOH, reaction time and temperature on the extent of amination. And the molecular simulation technology was adopted to analyze the conformation stability of aminate (AKGM). The results indicate that when the amount of CEA is higher, the extent of amination is higher. The optimum concentration of NaOH, reaction time and temperature are 10% NaOH, 70 ℃ and 45 rain, respectively. IR shows KGM is successfully aminated. The conformation of AKGM is in a random clew-like shape. 相似文献
69.
DNA分子结构的多态性研究:(Ⅱ)吖啶橙凝聚体变化诱导的质粒DNA?… 总被引:1,自引:0,他引:1
利用吸收光谱和荧光光谱方法,研究了吖啶橙(AO)与质粒DNA水溶液,以及含胶束介抽的吖啶橙与质粒DNA溶液体系的相互结合作用及减色效应。结果表明:吖啶橙时质粒DNA的吸收光谱有减色效应;含十二烷基硫酸钠(SDS)的AO水溶液体中,随着SDS浓度的增加,其光谱结果表明由凝聚态向单体的转化。而在含十二烷基硫酸钠(DS)的AO与质粒DNA溶液体系中,吖啶橙凝聚态随SDS浓度的增加,对AO与质粒DNA相互 相似文献
70.
在作者已给出的描述三螺旋蛋白质分子的哈密顿函数基础上,得到了孤立子存在的临界温度和热容器,其结果与实验结果一致。 相似文献