全文获取类型
收费全文 | 8414篇 |
免费 | 1506篇 |
国内免费 | 959篇 |
专业分类
化学 | 6241篇 |
晶体学 | 77篇 |
力学 | 497篇 |
综合类 | 50篇 |
数学 | 1054篇 |
物理学 | 2960篇 |
出版年
2024年 | 16篇 |
2023年 | 203篇 |
2022年 | 232篇 |
2021年 | 307篇 |
2020年 | 458篇 |
2019年 | 392篇 |
2018年 | 345篇 |
2017年 | 277篇 |
2016年 | 406篇 |
2015年 | 418篇 |
2014年 | 510篇 |
2013年 | 627篇 |
2012年 | 767篇 |
2011年 | 824篇 |
2010年 | 546篇 |
2009年 | 491篇 |
2008年 | 479篇 |
2007年 | 454篇 |
2006年 | 471篇 |
2005年 | 359篇 |
2004年 | 276篇 |
2003年 | 226篇 |
2002年 | 279篇 |
2001年 | 160篇 |
2000年 | 170篇 |
1999年 | 181篇 |
1998年 | 129篇 |
1997年 | 127篇 |
1996年 | 139篇 |
1995年 | 108篇 |
1994年 | 97篇 |
1993年 | 64篇 |
1992年 | 66篇 |
1991年 | 56篇 |
1990年 | 46篇 |
1989年 | 42篇 |
1988年 | 36篇 |
1987年 | 17篇 |
1986年 | 25篇 |
1985年 | 21篇 |
1984年 | 12篇 |
1983年 | 3篇 |
1982年 | 1篇 |
1981年 | 6篇 |
1980年 | 1篇 |
1957年 | 3篇 |
1935年 | 1篇 |
1931年 | 1篇 |
1930年 | 3篇 |
1922年 | 1篇 |
排序方式: 共有10000条查询结果,搜索用时 203 毫秒
141.
142.
The 1205 classical isomers of fullerene C58, as well as one quasi-fullerene C58 isomer with a heptagonal ring (labeled as Cs:hept) have been investigated by the quantum chemical methods PM3, HCTH/3-21G, and B3LYP/6-31G(d). Isomer C3v:0001, which has the lowest number of adjacent pentagons, is predicted to be the most stable isomer, but the quasi-fullerene isomer Cs:hept is only 2.50 kcal mol-1 higher in energy. Systematic investigations of the electronic properties of C3v:0001 and Cs:hept find that the C3v:0001 isomer has high vertical electron affinity (3.19 eV). The nucleus-independent chemical shifts (NICS) value at the center of Cs:hept (-5.1 ppm) is more negative than that of C60 (-2.8 ppm). The NICS value at the center of the heptagonal ring in Cs:hept (-2.5 ppm) indicates weakly aromatic character. In contrast, the C58(6-) and C58(8-) ions of the C3v:0001 and Cs:hept geometries possess large aromatic character, with NICS values between -14.0 and -26.2 ppm. To clarify the thermodynamic stabilities of C58 isomers at different temperatures, the entropy contributions are taken into account on the basis of the Gibbs energy at the B3LYP/6-31G(d) level. The C3v:0001 isomer prevails in a wide range of temperatures, and the Cs:hept isomer is also an important component around 2800 K. The IR spectra of C58 isomers are simulated to facilitate experimental identification of different isomers. In addition, the electronic spectra and the second-order hyperpolarizabilities are predicted by ZINDO and the sum-over-states model. The static second-order hyperpolarizability of the C3v:0001 isomer is 96.5 % larger than that of C60, and its second-order hyperpolarizabilities at external field frequencies are at least nine times larger than those of C60. 相似文献
143.
于铂电极上修饰一层N-(3-二茂铁乙酰胺基)丙基吡咯聚合物膜,应用循环伏安法对聚合物的电化学性能进行研究,发现了N-位取代吡咯聚合物的电活性大大降低,聚合物中 二茂铁基团氧化还原性能稳定,制成酶电极后,在+0.2V以葡萄糖有一明显的催化峰,而对抗坏血酸,尿酸则几乎没有呼应,该葡萄糖电极性能稳定,连续工作十天,响应值基本不变。 相似文献
144.
A novel diterpene derivative, 5-methyl-5-(4,8,12-trimethyl-tridecyl)-dihydro-furan-2-one (1) and a new chromone, 5-hydroxy-7-methoxy-3-methyl-chromen-4-one (2), along with a known compound, phytol (3) have been isolated from the aerial parts of Hypericum perforatum. Their structures were established on the basis of spectroscopic analysis and by comparison with published values. 相似文献
145.
The Randić index of an organic molecule whose molecular graph is G is the sum of the weights (d(u)d(v))−1/2 of all edges uv of G, where d(u) and d(v) are the degrees of the vertices u and v in G. We give a sharp lower bound on the Randić index of conjugated trees (trees with a perfect matching) in terms of the number
of vertices. A sharp lower bound on the Randić index of trees with a given size of matching is also given
Mei Lu: Partially supported by NNSFC (No. 60172005)
Lian-zhu Zhang: Partially supported by NNSFC (No. 10271105)
Feng Tian: Partially supported by NNSFC (No. 10431020) 相似文献
146.
147.
Dilithiated N,N′‐dimethyl‐piperazine, LiCH2N(CH2CH2)2 NCH2Li ( 2 ) was prepared by transmetallation of N,N′‐bis(trimethylstannylmethyl)‐piperazine ( 1 ) with nBuLi and was isolated as a highly pyrophoric yellowish powder in high yield. Compound 2 was characterized by elemental analysis and was reacted as difunctional aminomethylating reagent with dialkyl‐earth metal chlorides, R2MCl (M = Al, Ga; R = Me, tBu) which resulted in the formation of spirocyclic adducts of N,N′‐bis(dialkylmetallamethyl)‐piperazine and unreacted dialkylmetal chlorides, [(Me2AlCl)Me2AlCH2N(CH2CH2)2NCH2AlMe2(ClAlMe2)] ( 3 ) and [(tBu2GaCl)tBu2GaCH2N(CH2CH2)2NCH2GatBu2(ClGatBu2)] ( 4 ) with five‐membered rings. Compounds 1 , 3 and 4 were identified by NMR‐spectroscopy (1H, 13C, 119Sn for 1 , 27Al for 3 ), mass spectra (EI, for 1 ) and by crystal structure determinations. 相似文献
148.
Chunfu Zhang Yongxian Wang Haibin Tian Duanzhi Yin 《Journal of Radioanalytical and Nuclear Chemistry》2002,253(2):313-316
A method for 103Pd molecular plating onto the surface of the copper rod is reported. The optimal composition of the plating bath was: palladium chloride 2 g/l, ammonium hydroxide (28%) 150 ml/l, sodium hypophosphite 12 g/l, and ammonium chloride 37 g/l. The whole procedure of 103Pd molecular plating will last 50 minutes at 40 °C. This article provides valuable experience for the preparation of 103Pd seeds. 相似文献
149.
Ming-Liang Zhang Yu-Peng Tian Xuan-Jun Zhang Jie-Ying Wu Sheng-Yi Zhang Dong Wang Min-Hua Jiang Suchada Chantrapromm Hoong-Kun Fun 《Transition Metal Chemistry》2004,29(6):596-602
A new Schiff base ligand derived from S-benzyldithiocarbazate and 4-[N-hydroxy ethyl-N-(methyl)amino]benzaldehyde (HL, where H is a dissociable proton) and its NiII, CuII, ZnII and PdII complexes were prepared and fully characterized. The structures of HL and Ni(L)2 were determined by X-ray diffraction analysis, which revealed that the geometry of the NiII ion is square-planar with two equivalent Ni=N and Ni=S bonds, and that the two neighboring molecules in two layers have weak contact. The electronic spectra and solution fluorescence of the ligand and the complexes were studied, and the quantum yields of single-photon fluorescence for the compounds were determined. The compounds possess two-photon absorption (t.p.a.) character and the t.p.a. coefficient and t.p.a. cross-section were determined by the Z-scan technique. Especially, the Zn(L)2complex and the HL ligand exhibit intensive two-photon fluorescence (t.p.f.) at 800 nm laser pulses in the femtosecond regime. 相似文献
150.
100公里以上的大气分子离子主要为NO~+。它的辐射特点及它与电子、原子或分子的相互作用,对于理解大气的化学过程具有特别重要的意义。为了研究这些过程,确定NO~+分子离子基态及其各个激发态的分子势能函数是非常重要的。精确的X~1Σ~+,A~1Ⅱ和a~3∑~+势能曲线已发表;基于光电子谱的研究发现了NO~+的其它激发态,但对于这些激发态的研究尤其是势能函数的研究不多。本文研究并导出NO~+的基态和10个激发态的势能函数。 相似文献