全文获取类型
收费全文 | 11727篇 |
免费 | 2049篇 |
国内免费 | 2269篇 |
专业分类
化学 | 8721篇 |
晶体学 | 230篇 |
力学 | 689篇 |
综合类 | 336篇 |
数学 | 1310篇 |
物理学 | 4759篇 |
出版年
2024年 | 56篇 |
2023年 | 226篇 |
2022年 | 489篇 |
2021年 | 497篇 |
2020年 | 538篇 |
2019年 | 548篇 |
2018年 | 406篇 |
2017年 | 518篇 |
2016年 | 508篇 |
2015年 | 596篇 |
2014年 | 695篇 |
2013年 | 914篇 |
2012年 | 970篇 |
2011年 | 1054篇 |
2010年 | 811篇 |
2009年 | 761篇 |
2008年 | 890篇 |
2007年 | 722篇 |
2006年 | 673篇 |
2005年 | 584篇 |
2004年 | 450篇 |
2003年 | 369篇 |
2002年 | 430篇 |
2001年 | 352篇 |
2000年 | 332篇 |
1999年 | 246篇 |
1998年 | 148篇 |
1997年 | 145篇 |
1996年 | 141篇 |
1995年 | 132篇 |
1994年 | 129篇 |
1993年 | 120篇 |
1992年 | 84篇 |
1991年 | 77篇 |
1990年 | 62篇 |
1989年 | 72篇 |
1988年 | 48篇 |
1987年 | 46篇 |
1986年 | 36篇 |
1985年 | 53篇 |
1984年 | 28篇 |
1983年 | 22篇 |
1982年 | 19篇 |
1981年 | 13篇 |
1980年 | 15篇 |
1979年 | 12篇 |
1977年 | 2篇 |
1964年 | 1篇 |
1959年 | 2篇 |
1957年 | 3篇 |
排序方式: 共有10000条查询结果,搜索用时 15 毫秒
151.
We use a multilevel path integral Monte-Carlo (PIMC) method to simulate the arrangement of He atoms around a single Al atom doped in a He cluster. High-level ab initio Al-He pair potentials and a Balling and Wright pairwise Hamiltonian model are used to describe the full potential and the electronic asymmetry arising from the open-shell character of the Al atom in its ground and excited electronic states. Our calculations show that the doping of the Al 3p electron strongly influences the He packing. The results of the PIMC simulation are used to predict the electronic excitation spectrum of an Al atom embedded in He clusters. With inclusion of tail corrections for the ground and excited states potentials, the calculated 3d<--3p spectrum agrees reasonably well with the experimental spectrum. The blueshift of the calculated spectrum associated with the 4s<--3p transition of solvated Al is about 25 nm (2000 cm-1) larger than seen in experiments on Al embedded in bulk liquid He. We predict that the spectrum associated with the 4p<--3p transition will be blueshifted by approximately 7000 cm-1 (nearly 1 eV). 相似文献
152.
Yongcheng Liu Xin Chen Jianghong Qian Haiying Liu Zhengzhong Shao Jiaqi Deng Tongyin Yu 《Applied biochemistry and biotechnology》1997,62(2-3):105-117
The structure and properties of the blend of regenerated silk fibroin (RSF) and poly(vinyl alcohol) (PVA) were investigated.
The two polymers in the blend are in the state of phase segregation. Infrared (IR) spectra indicate that the RSF in the blend
maintains its intrinsic properties, thus, ethanol treatment can transfer silk I structure of RSF to silk II structure. The
water absorption property and mechanical property of the blend are improved in comparison with those of RSF. The blend maintains
the major merit of RSF, that is, it can immobilize glucose oxidase on the basis of the conformational transition from silk
I structure to silk II structure. The properties of the immobilized enzyme are examined. Moreover, the second generation of
glucose sensor based on the immobilized enzyme is fabricated and it has a variety of advantages including easy maintenance
of enzyme, simplicity of construction, fast response time and high stability. 相似文献
153.
154.
A new Ni(Ⅱ) complex [Ni2(salen)2]·(NCS)·NH4 (salen = N,N'-bis(salicylidenea-mino)ethanato) has been prepared and structurally characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. It crystallizes in the orthorhombic system, space group Pbca with a = 16.8725(13), b = 19.0046(15), c = 20.0583(16) (A), Z = 8, V = 6431.8(9) (A)3, C33H32N6Ni2O4S1, Mr= 726.13, Dc = 1.500 g/cm3, F(000) = 3008, μ = 1.284 mm-1, the final R = 0.0394 and wR = 0.0767 for 4449 observed reflections with Ⅰ>2σ(Ⅰ). The complex involves a N,N'-ethylene-bis(salicylaldiminato) Schiff base, an isothiocyanato anion and an ammonium cation. The nickle(Ⅱ) ion adopts a distorted square coordination geometry with N2O2 set of Schiff base ligand. The complexes are linked into a dimmer via intermolecular hydrogen bonds and the [Ni(salen)] moieties are connected together to form a 2-D layer structure by intermolecular N-H…O hydrogen bonds and π-π stacking. Cyclic-voltammetry method was used to characterize electrochemically the complex. 相似文献
155.
TU Shu-Jianga② WANG Qiana ZOU Xianga b SHI Fenga MIAO Chun-Baoa FANG Fanga XU Jia-Ninga a 《结构化学》2005,24(3):255-258
1 INTRODUCTION 1,4-Dihydropyridines (1,4-DHPs) are well-knowncompounds because of their pharmacological pro-perty as calcium channel modulators[1, . The che- 2]mical modifications, such as the introduction of dif-ferent substituents[3, or heteroatoms[5], of the DHP 4]ring have allowed the expansion of researches onthe structure-activity relationship to gain new in-sights into the molecular interactions at the receptorlevel. In fact, it is well established th… 相似文献
156.
Staphylionosides A-K: megastigmane glucosides from the leaves of Staphylea bumalda DC 总被引:1,自引:0,他引:1
Chemical investigation of leaves of Staphylea bumalda DC., collected in the suburbs of Hiroshima City, afforded 11 new megastigmane glucosides, named staphylionosides A-K (3-13), along with two known megastigmane glucosides (1, 2). The relative structures were elucidated from spectroscopic evidence, and the absolute structures of the aglycones were determined by means of the combination of beta-D-glucosylation-induced shift-trends and the modified Mosher's method. 相似文献
157.
Two kinds of thio-heterocyclic fused naphthalene carboxamides, 3a-b, 4a-b, were designed, synthesized and quantitatively evaluated as efficient antitumor and DNA photocleaving agents. Compound 3a or 3b, having the thiophene ring, intercalated into DNA more strongly than compound 4a or 4b, having the thioxanthene ring. Compound 4a or 4b, photocleaved DNA more efficiently than 3a or 3b via superoxide anion. Compound 4a was the strongest inhibitor for P388 (murine leukemia cell), while 3a was the most cytotoxic one against A549 (human lung cancer cell). Each new compound showed stronger DNA photocleaving activity than corresponding naphthalimide. 相似文献
158.
采用CSU软件 (Contactsofstructuralunits) ,对 61种球状蛋白质分子中氨基酸紧密接触对 (Residue residuecontact)进行了研究 .重点研究了不同氨基酸在形成远程紧密接触对 (Long rangecontact)和近程紧密接触对 (Short rangecontact)时的不同能力 .发现氨基酸Leu,Val,Ile,Met,Phe,Tyr,Cys,Trp(疏性氨基酸 ,H)比较容易形成远程紧密接触对 ,氨基酸Glu,Gln ,Asp ,Asn,Lys,Ser,Arg,Pro(亲水氨基酸 ,P)比较难形成远程紧密接触对 ,而氨基酸Ala,Gly,Thr,His(中性氨基酸 ,N)在形成远程紧密接触对时能力一般 .它们平均每个氨基酸可形成 6 0 3 ,3 64和 4 43个远程紧密接触对 .同时它们在形成近程紧密接触对时能力非常接近 ,平均每个氨基酸可形成的近程紧密接触对数目在 2 3 4~ 2 85变化 ,差别非常小 .亲水氨基酸 (P) ,中性氨基酸 (N)和疏水性氨基酸 (H)在蛋白质分子结构稳定性上起着不同的作用 相似文献
159.
160.
本文报道新的Tweezer(1)的合成,用^1HNMR研究了新的Tweezer分子和对硝基苯甲酸盐的配位效应,结果表明它兴通过氢键,静电引力和芳环夹心堆叠作用而自动缔合。 相似文献