全文获取类型
收费全文 | 172篇 |
免费 | 10篇 |
专业分类
化学 | 116篇 |
数学 | 4篇 |
物理学 | 62篇 |
出版年
2024年 | 1篇 |
2023年 | 3篇 |
2022年 | 4篇 |
2021年 | 2篇 |
2020年 | 9篇 |
2019年 | 6篇 |
2018年 | 1篇 |
2017年 | 2篇 |
2016年 | 9篇 |
2015年 | 7篇 |
2014年 | 8篇 |
2013年 | 11篇 |
2012年 | 26篇 |
2011年 | 15篇 |
2010年 | 7篇 |
2009年 | 4篇 |
2008年 | 16篇 |
2007年 | 12篇 |
2006年 | 5篇 |
2005年 | 9篇 |
2004年 | 3篇 |
2003年 | 2篇 |
2002年 | 4篇 |
2001年 | 1篇 |
2000年 | 3篇 |
1998年 | 1篇 |
1997年 | 1篇 |
1996年 | 2篇 |
1995年 | 2篇 |
1993年 | 1篇 |
1987年 | 1篇 |
1984年 | 1篇 |
1982年 | 2篇 |
1981年 | 1篇 |
排序方式: 共有182条查询结果,搜索用时 10 毫秒
91.
When a solid such as iron is cooled across a structural transition, its final microstructure depends sensitively on the cooling rate and the depth of quench. For instance, an infinitesimally slow cooling or a shallow quench results in an equilibrium "ferrite," while a rapid cooling or a deep quench gives rise to a metastable twinned "martensite." In this paper, we arrive at a single formalism which qualitatively describes the transformation to both a ferrite and a martensite. Fundamental to this understanding is our identification of the crucial dynamical role played by nonelastic degrees of freedom in determining the final microstructure of the product solid. 相似文献
92.
The palladium[0]-mediated Ullmann cross-coupling of readily available β-bromo-α,β-unsaturated aldehydes of the general form 2 with 1-bromo-2-nitrobenzene (3, X = Br) delivers products, 4, that undergo reductive cyclization to novel quinolines (5) upon exposure to indium in aqueous ammonium chloride or to Raney-nickel in the presence of dihydrogen. Analogous cross-coupling of 2-bromoacetanilide (6) with 2 affords products of type 7 that undergo in situ and K2CO3-mediated cyclization to give the same types of quinolines (5). 相似文献
93.
Resmin Khatun Dr. Surajit Biswas Sarikul Islam Imdadul Haque Biswas Sk Riyajuddin Dr. Kaushik Ghosh Prof. Sk Manirul Islam 《ChemCatChem》2019,11(4):1303-1312
Catalytic fixation of CO2 through chemical reactions is always a challenging task of synthetic chemistry. This paper represents the design and synthesis of an eco-friendly low cost zinc metal containing heterogeneous catalyst of aminically modified Graphene Oxide. Characterization of the catalyst has been carried out by Raman and FTIR spectra, AAS, XRD, TEM, SEM, EDX and N2 adsorption desorption studies. It was found that the catalyst was very proficient for the CO2 fixation through N-formylation and carbamate formation reactions of amines. Catalytic N-formylation reaction of both aromatic and aliphatic amines gave high yield of corresponding formylated products in presence of polymethylhydrosiloxane (PMHS) as reducing agent under 1 bar CO2 pressure and mild temperature. Formation of carbamates from aniline or its derivatives and alkyl/aryl bromide with good product selectivity was also achieved under same CO2 pressure in presence of our synthesized catalyst at room temperature with solvent-free condition. The catalyst is reusable and efficient even after six cycles. 相似文献
94.
Manzoor Ahmad Surajit Metya Prof. Aloke Das Prof. Pinaki Talukdar 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(40):8703-8708
There has been a tremendous evolution for artificial ion transport systems, especially gated synthetic systems, which closely mimic their natural congeners. Herein, we demonstrate a trans-azobenzene-based photoregulatory anionophoric system that transports chloride by forming a sandwich dimeric complex. Further studies confirmed a carrier-mediated chloride-anion antiport mechanism, and the supramolecular interactions involved in chloride recognition within the sandwich complex were revealed from theoretical studies. Reversible trans–cis photoisomerization of the azobenzene was achieved without any significant contribution from the thermal cis→trans isomerization at room temperature. Photoregulatory transport activity across the lipid bilayer membrane inferred an outstanding off-on response of the azobenzene photoswitch. 相似文献
95.
Supreet Kaur Abinash Barthakur Golam Mohiuddin Santosh Prasad Gupta Surajit Dhara Santanu Kumar Pal 《Chemical science》2022,13(8):2249
“de Vries” liquid crystals, defined by a maximum layer shrinkage of ≤1% from the smectic A to C phase transition, are an integral component of ferroelectric liquid crystal (FLC) displays. Bona fide de Vries materials described in the literature are primarily perfluorinated, polysiloxane and polysilane-terminated rod-like (or calamitic) LCs. Herein, for the first time, we report a series of newly designed achiral unsymmetrical bent-core molecules with terminal alkoxy chains exhibiting similar properties to “de Vries” LCs. The new molecular structure is based on the systematic distribution of four phenyl rings attached via ester and imine linkers having 3-amino-2-methylbenzoic acid as the central core with a bent angle of 147°. Detailed microscopic investigations in differently aligned (planar as well as homeotropic) cells along with SAXS/WAXS studies revealed that the materials exhibited a SmA–SmC phase sequence along with the appearance of the nematic phase at higher temperatures. SAXS measurements divulged the layer spacings (d-spacings) and hence, the layer shrinkage was calculated ranging from 0.19% to 0.68% just below the SmA–SmC transition. The variation of the calculated molecular tilt angle (α) derived from the temperature-dependent SAXS data, followed the power law with exponent values 0.29 ± 0.01 and 0.25 ± 0.01 for compounds 1/10 and 1/12, respectively. The experimental values obtained were very close to the theoretically predicted values for the materials with de Vries-like properties. The analysis of temperature-dependent birefringence studies based on the prediction of the Landau theory, showed a dip across the SmA–SmC phase transition typical of compounds exhibiting the de Vries characteristics. The collective results obtained suggest “de Vries” SmA as a probable model for this bent-core system which may find applications in displays.A simple molecular design of unsymmetrical bent-core molecules exhibiting low layer shrinkage and a dip in the birefringence at the SmA–SmC phase transition, typical characteristics of “de Vries” liquid crystals. 相似文献
96.
An enzyme which is capable of catalyzing C–H amination reactions is considered to be a dream tool for chemists due to its pharmaceutical potential and greener approach. Recently, the Arnold group achieved this feat using an engineered CYP411 enzyme, which further undergoes a random directed evolution which increases its efficiency and selectivity. The present study provides mechanistic insight and the root cause of the success of these mutations to enhance the reactivity and selectivity of the mutant enzyme. This is achieved by means of comprehensive MD simulations and hybrid QM/MM calculations. The study shows that the efficient C–H amination by the engineered CYP411 is a combined outcome of electronic and steric effects. The mutation of the axial cysteine ligand to serine relays electron density to the Fe ion in the heme, and thereby enhances the bonding capability of the heme-iron to the nitrogen atom of the tosyl azide. In comparison, the native cysteine-ligated P450 cannot bind the tosyl azide. Additionally, the A78V and A82L mutations in P411 provide ‘bulk’ to the active site which increases the enantioselectivity via a steric effect. At the same time, the QM/MM calculations elucidate the C–H amination by the iron nitrenoid, revealing a mechanism analogous to Compound I in the native C–H hydroxylation by P450.Computer simulation method reveals the mechanism of C–H amination reaction due to a single site mutation. 相似文献
97.
Felicia S. Manciu Marian Manciu Surajit Sen 《Journal of magnetism and magnetic materials》2000,220(2-3)
We consider a model dilute ferrofluid that is subjected to a strong, homogeneous magnetic field directed perpendicular to the surface of the ferrofluid, such that there is a chain formation in the direction perpendicular to the surface of the liquid. We study the propagation of impulses generated at high-frequency across finite times through the ferrofluid chains. Our numerical analysis shows that a very high-frequency sequence of non-linear acoustic pulses of appropriate magnitudes, initiated at the base of the container, can lead to the ejection of desired number of ferrofluid grains through the liquid–air interface. The proposed mechanism, if successfully realized in the laboratory, could help design a nozzle-free, ultrafast, ink-jet printer of unparalleled resolution. 相似文献
98.
99.
100.
Subhashree P. DashSagarika Pasayat SaswatiHirak R. Dash Surajit DasRay J. Butcher Rupam Dinda 《Polyhedron》2012,31(1):524-529
Some new oxovanadium(V) complexes, [VOL1-3(OEt)(EtOH)] (1-3), have been reported, which were obtained from the reaction of the Schiff bases H2L1-3 (where H2L1 = the salicylhydrazone of diacetyl monoxime; H2L2 = the 4-methoxy salicylhydrazone of diacetyl monoxime and H2L3 = the 4-hydroxy salicylhydrazone of diacetyl monoxime) with VO(acac)2 in a 1:1 molar ratio. Three 4-R-aroylhydrazoneoximes (V) have been used as ligands in the present study, differing in the inductive effect of the substituent R (R = H, OCH3 and OH), in order to observe their influence, if any, on the redox potentials and biological activity of the complexes. All the synthesized ligands and metal complexes were successfully characterized by elemental analysis, IR, UV-Vis and NMR spectroscopy. An X-ray diffraction study of [VOL1(OEt)(EtOH)] (1) reveals that the metal center has a distorted octahedral O5N coordination sphere, where the O,N,O donor ligand and the ethoxo group constitute a satisfactory O3N basal plane. Cyclic voltammetry of the complexes show a quasi-reversible cyclic voltammetric response in the potential range 0.29-0.36 V involving a single electron V(V)-V(IV) reduction. The complexes have also been screened for their antibacterial activity against Escherichia coli, Bacillus, Proteus and Klebsiella. Minimum inhibitory concentrations of these complexes and the antibacterial activities indicate compound 1 as the potential lead molecule for drug design. 相似文献