全文获取类型
收费全文 | 14934篇 |
免费 | 2280篇 |
国内免费 | 1376篇 |
专业分类
化学 | 10901篇 |
晶体学 | 181篇 |
力学 | 836篇 |
综合类 | 72篇 |
数学 | 1776篇 |
物理学 | 4824篇 |
出版年
2024年 | 51篇 |
2023年 | 328篇 |
2022年 | 568篇 |
2021年 | 569篇 |
2020年 | 685篇 |
2019年 | 582篇 |
2018年 | 508篇 |
2017年 | 445篇 |
2016年 | 709篇 |
2015年 | 738篇 |
2014年 | 758篇 |
2013年 | 1117篇 |
2012年 | 1281篇 |
2011年 | 1274篇 |
2010年 | 830篇 |
2009年 | 836篇 |
2008年 | 989篇 |
2007年 | 840篇 |
2006年 | 758篇 |
2005年 | 714篇 |
2004年 | 516篇 |
2003年 | 429篇 |
2002年 | 414篇 |
2001年 | 326篇 |
2000年 | 296篇 |
1999年 | 304篇 |
1998年 | 205篇 |
1997年 | 160篇 |
1996年 | 200篇 |
1995年 | 167篇 |
1994年 | 138篇 |
1993年 | 126篇 |
1992年 | 104篇 |
1991年 | 89篇 |
1990年 | 94篇 |
1989年 | 70篇 |
1988年 | 63篇 |
1987年 | 49篇 |
1986年 | 41篇 |
1985年 | 43篇 |
1984年 | 37篇 |
1983年 | 17篇 |
1982年 | 16篇 |
1981年 | 20篇 |
1980年 | 11篇 |
1979年 | 8篇 |
1976年 | 10篇 |
1975年 | 11篇 |
1971年 | 7篇 |
1969年 | 5篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
971.
Hongfang Yang Dr. Li Han Jing Zhao Prof. Dr. Xinyu Song Prof. Dr. Qisheng Song Prof. Dr. Yuxiang Bu 《Chemphyschem》2012,13(18):4148-4154
Graphene oxide has attracted intense research interest recently because the graphene oxide synthesis route, as a promising alternative for cost‐effective mass production of graphene, has been explored. To further study the oxidation process and possible mechanism and to explore applicability of the oxidized products, we have performed a computational study on three series of oligoacene dioxides, focusing on their structures and electronic properties. Taking 1,5‐dioxidized naphthalene as a starting point, three series of oligoacene dioxides are considered as follows: 1) middle insertion by 1–2 benzene rings; 2) single‐side expansion using 1–2 benzene rings; 3) double‐side expansion using two benzene rings. On the basis of density functional theory and complete active space self‐consistent field (CASSCF) calculations, we reveal that oligoacene dioxides in the middle insertion series have a triplet ground state, whereas those in the single‐side expansion series and the double‐side expansion series have open‐shell broken‐symmetry singlet diradical ground states except for their common origin naphthalene‐1,5‐dioxide whose ground state is triplet and which is also viewed as the origin of the middle insertion series. Magnetic coupling interactions of these oligoacene dioxides are also determined. This work should help people toward an atomistic understanding of the electronic structures and properties of possible intermediates or products and even the oxidation mechanism of graphene sheets, and provides a reasonable strategy of designing novel graphene‐oxide‐based magnetic materials. 相似文献
972.
Hanİfe Saraçoğlu Alaaddin Cukurovali 《International journal of quantum chemistry》2012,112(6):1566-1578
The title molecule, 3‐{[4‐(3‐methyl‐3‐phenyl‐cyclobutyl)‐thiazol‐2‐yl]‐hydrazono}‐1,3‐dihydro‐indol‐2‐one (C22H20N4O1S1), was prepared and characterized by 1H NMR, 13C NMR, IR, UV–visible, and single‐crystal X‐ray diffraction. The compound crystallizes in the monoclinic space group P21 with a = 8.3401(5), b = 5.6976(3), c = 20.8155(14) Å, and β = 95.144(5)°. Molecular geometry from X‐ray experiment and vibrational frequencies of the title compound in the ground state has been calculated using the Hartree–Fock with 6‐31G(d, p) and density functional method (B3LYP) with 6‐31G(d, p) and 6‐311G(d, p) basis sets, and compared with the experimental data. The calculated results show that optimized geometries can well reproduce the crystal structural parameters, and the theoretical vibrational frequencies values show good agreement with experimental data. Density functional theory calculations of the title compound and thermodynamic properties were performed at B3LYP/6‐31G(d, p) level of theory. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012 相似文献
973.
Palladium nanocrystals bound by {110} or {100} facets: from one pot synthesis to electrochemistry 总被引:1,自引:0,他引:1
A facile one-pot tactic is developed for the selective synthesis of either rhombic dodecahedral or cubic Pd nanocrystals with high yields. By applying a mild cleaning process, we establish for the first time reasonable and distinct electrochemical features corresponding to {110} or {100} facet predominated Pd nanocrystals. 相似文献
974.
975.
在水热条件下,以2,4′-联苯二羧酸(2,4′-H2bpdc)和咪唑并[4,5-f][1,10]邻菲咯啉(L)为配体构筑了两种配合物{[Co(2,4′-bpdc)(L)(H2O)]·H2O}n(1)和[Mn(2,4′-bpdc)(L)(H2O)]n(2),并利用元素分析、X-射线单晶衍射和热重分析对其结构进行了表征。配合物1具有一维链状结构,配合物2展示了一维双链结构,两个配合物都通过分子间氢键和π-π相互作用形成三维网状结构。 相似文献
976.
The relationship between penta-coordinate phosphorus compounds and biochemistry is briefly reviewed. Some interesting phenomena such as peptide formation, ester formation, ester exchange on phosphorus and N to O migration occur at room temperature when the amino group of amino acid is associated with phosphoryl group. Serine or threonine in conjugate of nucleo-side-amino acid could recognize different nucleobases. N-phosphoryl Histine and Ser-His dipep-tide could cleavage nucleic acid, protein and ester in neutral medium. It is found that the above phenomena all undergo penta-coordinate intermediate of phosphorus atom, which is proposed as the key factor to determine their activities. 相似文献
977.
合成气制低碳烯烃用Fe/AC催化剂的制备及性能表征 总被引:11,自引:1,他引:11
研究了以活性炭(AC)作为载体制备的铁基催化剂,通过对不同铁盐、活性炭和助剂的筛选,研制出对合成气转化为低碳烯烃具有高活性和高选择性的催化剂.对反应前及反应过程中催化剂体相结构的XRD测试结果表明,Fe-Cu-K/AC催化剂在反应前主要由α-Fe,Fe3O4和Cu0组成,经合成气反应后主要由α-Fe,Fe5C2,Fe7C3,Cu0和K2O组成.Fe-Mn-K/AC催化剂的晶体结构主要以Fe嵌入MnO中形成的(Fe,Mn)O结构存在.实验中得出的α-Fe,FexCy及(Fe,Mn)O与激光热解法制备的催化剂的的晶体结构相似.对催化剂的制备方法进行了筛选,考察了不同助剂Cu,Mn,Si和K等元素对催化剂性能的影响.结果表明,以草酸铁为铁源,椰壳炭为载体制备的Fe-Mn-K/AC催化剂的催化效果最佳,在空速600h-1,压力1.5MPa和温度320℃条件下,CO转化率可达97.4%,C=2~C=4选择性可达68.0%. 相似文献
978.
HDDR过程中三元和多元Nd-Fe-B合金磁畴结构的MFM研究 总被引:1,自引:1,他引:1
用磁力显微镜研究了三元Nd-Fe-B合金在HDDR过程的不同阶段(铸态、不充分吸氢歧化、充分吸氢歧化和脱氢再复合)的破畴结构。在铸态样品表面清楚地观察到了易磁化轴互相垂直的柱状晶表面的两类磁畴图型。当样品不充分吸氢歧化和充分吸氢歧化时,破畴结构明显发生变化,反映了Nd-Fe-B的分解产物NdH2,α-Fe和Fe2B及其微晶结构的变化。脱氢再复合后形成的微晶的磁畴结构则表明样品保留了铸态样品柱状晶的构型。此外,还对比研究了多元Nd-Fe-B合金在HDDR过程中的磁畴结构,并根据微磁结构分析,指出过量的Ga元素添加可抑制Nd2(Fe,M)14B相的吸氢歧化,从而导致相应HDDR粘结磁体性能降低。 相似文献
979.
近年来,对天然气的综合利用已逐渐为人们所重视。甲烷氧化偶联制乙烯、乙烷这一新课题受到催化工作者愈来愈多的关注[1~5]。本工作初步探讨了Li-Ln-MgO三元氧化物催化剂对甲烷氧化偶联反应的催化性能。添加稀土元素可使C2的选择性、单收明显提高。本催化剂体系制备简单、原料便宜,值得进一步开发研究。 相似文献
980.
PP/EPO共混体系混容性与结晶结构 总被引:3,自引:2,他引:3
WAXD方法测定表明PP/EPO共混体系的结晶度随EPO组份含量的增加而降低,晶胞参数与组份比无关,并计算了第二类晶格畸变。根据PP/EPO的DSC和扭辫实验得出在所有组成下PP/EPO共混体系是不相容的。但在非晶区可能部分相容。 相似文献