全文获取类型
收费全文 | 3138篇 |
免费 | 196篇 |
国内免费 | 237篇 |
专业分类
化学 | 2724篇 |
晶体学 | 115篇 |
力学 | 48篇 |
综合类 | 29篇 |
数学 | 225篇 |
物理学 | 430篇 |
出版年
2024年 | 5篇 |
2023年 | 37篇 |
2022年 | 59篇 |
2021年 | 89篇 |
2020年 | 98篇 |
2019年 | 92篇 |
2018年 | 88篇 |
2017年 | 86篇 |
2016年 | 86篇 |
2015年 | 116篇 |
2014年 | 126篇 |
2013年 | 245篇 |
2012年 | 231篇 |
2011年 | 191篇 |
2010年 | 124篇 |
2009年 | 167篇 |
2008年 | 173篇 |
2007年 | 189篇 |
2006年 | 165篇 |
2005年 | 171篇 |
2004年 | 160篇 |
2003年 | 120篇 |
2002年 | 105篇 |
2001年 | 63篇 |
2000年 | 59篇 |
1999年 | 66篇 |
1998年 | 51篇 |
1997年 | 42篇 |
1996年 | 60篇 |
1995年 | 38篇 |
1994年 | 36篇 |
1993年 | 39篇 |
1992年 | 26篇 |
1991年 | 19篇 |
1990年 | 16篇 |
1989年 | 16篇 |
1988年 | 13篇 |
1987年 | 12篇 |
1986年 | 6篇 |
1985年 | 7篇 |
1984年 | 10篇 |
1982年 | 7篇 |
1981年 | 14篇 |
1980年 | 9篇 |
1979年 | 4篇 |
1976年 | 3篇 |
1975年 | 8篇 |
1974年 | 8篇 |
1973年 | 3篇 |
1972年 | 3篇 |
排序方式: 共有3571条查询结果,搜索用时 15 毫秒
1.
Renny Mathew Karolina A. Uchman Lydia Gkoura Chris J. Pickard Maria Baias 《Magnetic resonance in chemistry : MRC》2020,58(11):1018-1025
A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated 1H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs. 相似文献
2.
Wenqing Zhang Dr. Jiuxing Li Prof. Dr. Bruno Salena Prof. Dr. Yingfu Li 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(3):592-596
DNA detection is usually conducted under nondenaturing conditions to favor the formation of Watson–Crick base-paring interactions. However, although such a setting is excellent for distinguishing a single-nucleotide polymorphism (SNP) within short DNA sequences (15–25 nucleotides), it does not offer a good solution to SNP detection within much longer sequences. Here we report on a new detection method capable of detecting SNP in a DNA sequence containing 35–90 nucleotides. This is achieved through incorporating into the recognition DNA sequence a previously discovered DNA molecule that forms a stable G-quadruplex in the presence of 7 molar urea, a known condition for denaturing DNA structures. The systems are configured to produce both colorimetric and fluorescent signals upon target binding. 相似文献
3.
Umie F.M. Haziz Rosenani A. Haque Shun-Ze Zhan Hassan H. Abdallah Mohd R. Razali 《应用有机金属化学》2020,34(10):e5818
The synthesis and characterizations for a series of dinuclear gold (I)-di-NHC complexes, 1–8 through the trans-metalation method of their respective silver (I)-di-NHC complexes, i–viii are reported (where NHC = N-heterocyclic carbene). The successful complexation of a series of unusual non-symmetrical and symmetrical di-NHC ligands, 3,3'-(ethane-1,2-diyl)-1-alkylbenzimidazolium-1'-butylbenzimidazolium (with alkyl = methyl, ethyl, propyl, butyl, pentyl, hexyl, heptyl, benzyl) with the gold (I) ions are suggested by elemental analysis, Fourier transform-infrared, 1H- and 13C-NMR data. The 13C-NMR spectra of 1–8 show a singlet sharp peak in the range of 190.00–192.00 ppm, indicating the presence of a carbene carbon that bonded to the gold (I) ion. From single crystal X-ray diffraction data, the structure of complex 6 with the formula of [di-NHC-Au (I)]2·2PF6 is obtained [where NHC = 3,3'-(ethane-1,2-diyl)-1-hexylbenzimidazolium-1'-butylbenzimidazolium]. The photophysical study in solid state of 6 displays an intense photoluminescence with a strong emission maxima, λem = 480 nm, upon excitation at 340 nm at room temperature. Interestingly, the emission maximum at 77 K shows a structural character with a strong peak at 410 nm, a medium at 433 nm and a weak at 387 nm, accompanied by a tail band to about 500 nm. 相似文献
4.
以金属钇和异丙醇为原料,以HgCl2/I2为复合催化剂,通过对金属钇的机械加工以增加其比表面,并将异丙醇脱水使其含水量降低至0.05%,体系在82℃回流5h,经过滤、减压蒸馏,得到了白色海绵状异丙醇钇,其产率高达83%,合成时间比文献报道的缩短了19h,产率提高了8%。文章确定了催化剂的最佳用量为20gY加入60mg HgCl2/I2,研究了合成产率与HgCl2/I2催化剂和HgCl2催化剂的依赖关系及异丙醇中含水量对合成产率的影响,并对HgCl2/I2的催化作用机理进行了初步探讨。 相似文献
5.
D. Amutha Rani Y. Yamamoto S. Mohri M. Sivakumar Y. Tsujita H. Yoshimizu 《Journal of Polymer Science.Polymer Physics》2003,41(3):269-273
In this study, a novel stepwise extraction method has been examined. The guest molecules housed between the helices of the clathrate δ form of syndiotactic polystyrene can be removed completely with this method. A systematic study of the preparation of a solvent‐free mesophase (emptied clathrate) membrane, its helical and residual solvent contents, and its structural transformations has been performed. In this first attempt, an enhancement in the TTGG helical content has been observed in the extracted membrane, and a conceptual mechanism is proposed. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 269–273, 2003 相似文献
6.
7.
对Cl/HN3/I2产生NCl(a)/I激光的过程进行了化学动力学计算,主要考察了Cl,HN3和I2的初始粒子数密度及其配比对小信号增益系数的影响。结果发现,当温度为400K, 初始Cl粒子数密度为1×1015,1×1016和1×1017cm-3时,小信号增益系数分别达到1.6×10-4,1.1×10-3和1.1×10-2cm-1,获得最佳小信号增益系数的HN3和I2的初始粒子数密度分别为初始Cl粒子数密度的1~2倍和2%~4%。同时,对Cl,HN3和I2配比对小信号增益系数和增益持续时间的影响进行了讨论。 相似文献
8.
Peter Naur 《BIT Numerical Mathematics》1986,26(2):175-187
The questions raised by A. M. Turing in his paper on thought and machines are discussed. Human thought is considered in turn as a concept of normal language usage, as a basic concept of psychology, and as the basis of intellectual activity. It is concluded that neither of these notions of thought identifies something specific that a human being can or cannot do. The imitation game proposed by Turing for deciding whether a machine can think is found to result from an arbitrary empoverishment of the channel of communication between the interrogator and the item under investigation. Turing's notions of thinking are shown to lead to logical difficulties. An alternative view of consciousness, that would place it beyond the reach of any finite test, is finally discussed. 相似文献
9.
Benjamin S. Hsiao Rong-Ming Ho Stephen Z. D. Cheng 《Journal of Polymer Science.Polymer Physics》1995,33(17):2439-2447
Unique crystallization and melting behavior in poly(aryl ether ketone ketone) containing alternated terephthalic and isophthalic moieties were studied by time-resolved synchrotron x-ray methods. Recently, this material has been shown to exhibit three polymorphs (forms I, II, and III). In this work, we further investigated their distinctive thermal properties and found that form I is the dominating and the most thermally stable phase while form II is favored by fast nucleation conditions and is the least stable phase. On the other hand, form III represents a minor intermediate phase that usually coexists with form I and can be transferred from form II and to form I. Structural and morphological changes in form I have been followed by simultaneous wide-angle x-ray diffraction (WAXD)/small-angle x-ray scattering (SAXS) measurements during cold- or melt-crystallization and subsequent melting. In all cases, a larger dimensional change was found in the crystallographic a-axis than the b-axis during heating and cooling. This may be due to the greater lateral stress variation with respect to temperature along the a direction of the primary lamellae which is induced by either the formation of secondary lamellae or the preferential chain-folding direction in poly(aryl ether ketone ketone)s. During the phase transitions of form II ← III in the cold-crystallized specimen and form III ← I in the melt-crystallized samples, lamellar variables (long period, lamellar thickness, and invariant) obtained from SAXS remain almost constant. This indicates that the density distribution in the long spacing is independent of the melting in form II or III. For melt-crystallization, the corresponding changes in unit-cell dimensions and lamellar morphology during the annealing-induced low endotherm are most consistent with the argument that these changes are due to the melting of thin lamellar population. © 1995 John Wiley & Sons, Inc. 相似文献
10.
In this paper we propose time-optimal convex hull algorithms for two classes of enhanced meshes. Our first algorithm computes the convex hull of an arbitrary set ofn points in the plane inO (logn) time on a mesh with multiple broadcasting of sizen×n. The second algorithm shows that the same problem can be solved inO (1) time on a reconfigurable mesh of sizen×n. Both algorithms achieve time lower bounds for their respective model of computation.This work was supported by NASA under grant NCCI-99.Additional support by the National Science Foundation under grant CCR-8909996 is gratefully acknowledged. 相似文献