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171.
It was believed that electroosmotic mobility μeo is inversely proportional to the square root of the ionic strength L But the linear relationship for regression analysis was expressed differently in different papers. The paper studied the linear expression of the mathematical relationship between μeo and c (background buffer concentration) by mathematical transform and real experimental data.μeo values of fused silica capillary were determined in four buffer systems. Their experimental conditions were controlled carefully for decreasing temperature difference AT and pH difference ApH in 50 μm ID capillary, in which no double layer overlap existed. The linear relationship between the reciprocal of electroosmotic mobility and the square root of concentration (or ionic strength) was derived by mathematical method. The regression analysis of experimental data was shown to well correspond to the relationship. The constants in regression equation could be well defined and the calculated results were acceptable. 相似文献
172.
《Arabian Journal of Chemistry》2022,15(4):103712
Although recent decades have witnessed the synthesis of 1,3,4-thiadiazoles via phosphorus POCl3-promoted cyclization reaction, simultaneous access to 2-amino-1,3,4-thiadiazole and 2-amino-1,3,4-oxadiazole analogs remains unexpected and elusive. Herein, a detailed regiocontrolled synthesis of 2-amino-1,3,4-thiadiazoles in good to high yields with good regioselectivities from readily available thiosemicarbazides using POCl3 was disclosed. Meantime, to establish a comprehensive structure–activity relationship, 2-amino-1,3,4-oxadiazole derivatives as single regioisomers were prepared via EDCI·HCl-triggered cyclization of the thiosemicarbazide intermediates. The in vitro anti-influenza assays proved that the selected compounds with the pyrazine/pyridine ring exhibited certain inhibitory activities against influenza A virus strains A/HK/68 (H3N2) and A/PR/8/34 (H1N1) in MDCK cells. Among them, N-(adamantan-1-yl)-5-(5-(azepan-1-yl)pyrazin-2-yl)-1,3,4-thiadiazol-2-amine (4j) was the most active compound, and exhibited favorable activity with EC50 values of 3.5 μM and 7.5 μM, respectively. In addition, the molecular docking results explained the reason why compound 4j had dual inhibitory activity and revealed the reasonable binding mode of this compound with the M2-S31N and M2-WT ion channels. This compound had the potential to be further developed as an anti-influenza drug. 相似文献
173.
在pH4.3的B-R缓冲体系中,用微相吸附-光谱修正技术[1]研究了茜素红(ARS)与牛血清白蛋白(BSA)、人血清白蛋白(HSA)的结合反应。其吸附结合常数分别为:KBSA-ARS=3.950×104,KHSA-ARS=4.377×104。染料与蛋白的最大结合数分别为NARS∶NBSA=9∶1,NARS∶NHSA=7∶1。经光谱修正技术计算结合产物的实际摩尔吸光系数分别为εBSA-ARS(537nm)=2.517×104L.mol-1.cm-1,εHSA-ARS(519nm)=2.051×104L.mol-1.cm-1,检出限BSA为19mg/L,HSA为23mg/L。经探讨该结合反应机理符合Langmuir吸附聚集反应方程。 相似文献
174.
《Arabian Journal of Chemistry》2022,15(8):104019
Plant bacteria and viruses have a huge negative impact on food crops in the world. Therefore, it is important to create new and efficient green pesticides. In this paper, a series of myricetin derivatives containing quinazolinone sulfide were introduced. Good antibacterial and antiviral activities of the drug molecules 2-((3-((5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-3-yl)oxy)propyl)thio)-6-fluoro-3-phenylquinazolin-4(3H)-one (T5) and 2-((4-((5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromen-3-yl)oxy)butyl)thio)-6-methyl-3-phenylquinazolin-4(3H)-one (T15) respectively were found by biological activity screening. The value of dissociation constant (Kd) of compound T15 to TMV CP was 0.024 ± 0.006 μM, determined by Microscale thermophoresis (MST), which was far less than the value of 8.491 ± 2.027 μM of commercial drug ningnanmycin (NNM). The interaction between compound T15 and TMV CP was further verified by molecular docking. Compound T15 formed strong hydrogen bonds with residues SER:49 and SER:15 (1.92 Å, 2.20 Å, respectively), which were superior to the traditional hydrogen bonds formed by NNM with residue SER:215 (3.64 Å). In addition, the effects of compound T15 on the contents of chlorophyll and peroxidase (POD) in tobacco were studied, and the results indicated that compound T15 could enhance the disease resistance of tobacco plants to a certain extent. 相似文献
175.
Peter Scharfenberg 《Theoretical chemistry accounts》1980,58(1):73-79
A simple classification scheme is proposed for critical points, based only on rankr and signatures of the (n,n)-matrixG of harmonic force constants. The determination ofr ands, e.g. by the well-known factorizationG=L
T
gL (L: triangular matrix,g: diagonal matrix), has several theoretical as well as practical (computational) advantages over the inspection of eigenvalues ofG, so far used in quantum chemistry. The eigenvalues are sufficient butnot necessary for a classification whereas rank and signature are the only necessary and sufficient prerequisites for solving the task. For the purpose of presenting a working example, by calculating only a 2×2 torque constant matrix, it is shown that the coplanar ethylbenzene is unstable in the CNDO/2 picture. 相似文献
176.
177.
Mariana Ramos-Estrada Gustavo A. Iglesias-Silva Kenneth R. Hall F. Kohler 《Fluid Phase Equilibria》2006,240(2):179-185
We use the Clausius–Clapeyron equation to calculate third virial coefficients at low reduced temperatures. This procedure gives an alternative to predict third virial coefficients in a region where the third virial coefficient is difficult to measure. We compare the results of this method with published third virial coefficient data. Calculated third virial coefficients have average percentage deviations within 5% of the experimental values at reduced temperatures between 0.8 and 1.0. 相似文献
178.
Direct in situ determination of PGE1 in dioxane/water (1:1) at concentrations between 50 μg/ml and 1 mg/ml is described. HPTLC of PGE1 was carried out on HPTLC Kieselgel 60 o.F. plates; application (200 nl) was with a Nano-Appllcator and ethyl acetate/formic acid (400:5, v/v) served as mobile phase. The spots were located by dipping the plates into a 3% cupric acetate solution in 15% aqueous phosphoric acid, followed by heating at 120°C for 15 min. The plates were then evaluated directly at λ = 345 nm by chromatogram spectrometry. The coefficient of variation is 3.6%. 相似文献
179.
Summary. Two main types of binary systems with distinctive solubility behavior under sub- and supercritical conditions were used to
subdivide ternary water-salt systems into three classes. Characteristic features of solubility behavior and phase equilibria
in ternary water-salt systems of each class at temperatures above 200°C are discussed on the basis of available experimental
data and some conclusions obtained as a result of theoretical derivation of fluid and complete phase diagrams.
Corresponding author. E-mail: Valyashko@IGIC.RAS.RU
Received September 25, 2002; accepted (revised) November 28, 2002
Published online April 24, 2003
RID="a"
ID="a" Dedicated to Prof. Dr. H. Gamsjaeger on the occasion of his 70th birthday anniversary 相似文献
180.
磺化丁基橡胶离聚体在混合溶剂中的聚集行为 总被引:1,自引:0,他引:1
用顺磁共振(ESR)谱和粘度法考察了磺化丁基橡胶离聚体在二甲苯/正己醇混合溶剂中的聚集行为.ESR谱表明离聚体的离子基团发生聚集,其聚集程度受极性共溶剂(正己醇)的影响.粘度考察表明,在不同的浓度时离子基团有不同的聚集形式,低浓度时以分子内聚集为主,高浓度时以分子间聚集为主.离聚体的聚集度(DA)与浓度(c)的关系可用经验式DA=Aexp(kc2)表示,其中A、k为常数.k值反映聚集度受浓度影响的程度,醇含量增大时k值减小,这是因为醇对离子的溶剂化作用导致离子聚集的倾向减小. 相似文献