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11.
Bandyopadhyay S Chakraborty S Balasubramanian S Bagchi B 《Journal of the American Chemical Society》2005,127(11):4071-4075
The structure and dynamics of water around a protein is expected to be sensitive to the details of the adjacent secondary structure of the protein. In this article, we explore this sensitivity by calculating both the orientational dynamics of the surface water molecules and the equilibrium solvation time correlation function of the polar amino acid residues in each of the three helical segments of the protein HP-36, using atomistic molecular dynamics simulations. The solvation dynamics of polar amino acid residues in helix-2 is found to be faster than that of the other two helices (the average time constant is smaller by a factor of 2), although the interfacial water molecules around helix-2 exhibit much slower orientational dynamics than that around the other two helices. A careful analysis shows that the origin of such a counterintuitive behavior lies in the dependence of the solvation time correlation function on the surface exposure of the probe-the more exposed is the probe, the faster the solvation dynamics. We discuss that these results are useful in explaining recent solvation dynamics experiments. 相似文献
12.
Summary In aqueous solution [Cu(bigH)2]2+ (bigH=biguanide) reacts with 2,2-bipyridyl (bipy) and 1,10-phenanthroline (phen) through intermediate formation of ternary complexes [Cu(bigH)(L)]2+ and [Cu(bipy)(phen)]2+ and binary complexes [CuL2]2+ (L=bipy, phen). The rates of the different steps have been followed in borax buffer (pH 8.0±0.1) by stopped-flow spectrophotometry. For each step kobs=k0+kL[L] and the kL path appears to be associative. H and S values for the kL path conform to an isokinetic trend. 相似文献
13.
Das PK Pramanik R Banerjee D Bagchi S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2000,56(14):2763-2773
Solvation characteristics of ketocyanine dyes (I-VI) have been investigated in pure solvents and heterogeneous media by absorption and fluorescence studies. The dyes are good reporters of solvent polarity. In protic solvents they exist as equilibrium mixtures of bare and hydrogen-bonded form in the ground state (S0), the latter being the emitting species. In aprotic solvents of low polarity association of the S1 state of the dye takes place. In aqueous micellar media the dye resides at the micelle water interface. The binding constant for dye-micelle interaction has been determined. Fluorescence data in beta-cyclodextrine solution resemble that for that neutral micellar solution indicating that the interaction between the -OH group of the heterogeneous part (micelle/cyclodextrine cavity) and the carbonyl oxygen of the dye is important in both the cases. 相似文献
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15.
A linear-quadratic differential game in which the system state is affected by disturbance and both players have access to different measurements is solved. The problem is first converted to an optimization problem in infinite-dimensional state space and then solved using standard techniques. For convenience, L
2-white noise instead of Wiener process setup is used. 相似文献
16.
Piyali Bagchi Khatua Ujjal Debnath 《International Journal of Theoretical Physics》2012,51(12):3701-3720
In this work, we have considered Cardassian Universe in Ho?ava-Lifshitz gravity. Four types of Cardassian Universe models i.e., polytropic/power law, modified polytropic, exponential and modified exponential models have been considered for accelerating models. The natures of statefinder parameters, deceleration parameter, Om diagnostic and EoS parameters have been investigated for all types of Cardassian models in Ho?ava-Lifshitz gravity. 相似文献
17.
Zinc ion (Zn2+) is an important and a most useful biological trace nutrient responsible for the activity of several enzymes. Zn2+ concentrations in the environment as well as in the human body increase beyond permissible limits as a consequence of its mining and widespread industrial applications. Such excess Zn2+ concentrations are toxic to humans and many aquatic organisms. The magnetic inertness and spin paired electronic configuration of Zn2+ makes it hard to detect by common analytical techniques. Therefore, fluorometric detection using chemosensor is the most effective tool for the environmental and biological detection of Zn2+. We have developed a novel pyridine-constrained bis(triazole-linked hydroxyquinoline) ligand as a reversible fluorescent chemosensor for Zn2+. The symmetrical ligand is highly selective for Zn2+ and fluoresces brightly upon complexation compared with other metal ions based on chelation-enhanced fluorescence mechanism. Interestingly, free ligand can be regenerated by treating the ligand–Zn2+ complex with aqueous ammonia. 相似文献
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19.
Sumon Basak Subhabrata Dutta Prof. Dr. Debabrata Maiti 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(41):10533-10557
The skeletal presence of 1,3-azoles in a variety of bioactive natural products, pharmacophores, and organic materials demands the derivatization of such heteroarenes regioselectively. Plenty of cross-coupling as well as cyclocondensation reactions have been performed to build up these skeletons but remained commercially unrealizable. A couple of severe drawbacks are faced by these traditional protocols that require a more straightforward strategy to obviate them. Transition metal-catalyzed C−H functionalization has emerged as a superior alternative in that context. 1,3-Azoles and their benzo counterparts have been extensively functionalized exploiting both noble and earth-abundant transition metals. Lately, C-2 functionalization have gained much traction due to the ease of attaining high regioselectivity and installation of synthetically manipulative functionalities. This critical review presents a bird‘s eye view of all major C-2 functionalization of (benz)azoles catalyzed by a diverse set of metals performed over the past 15 years. 相似文献