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81.
Malgorzata Witko Vlasta Bona
I-Koutecký 《International journal of quantum chemistry》1986,29(5):1535-1554
Potential energy curves for the lowest singlet and triplet states of Me + C2H4, Me+ + C2H4, MeO, MeO + C2H4, and (MeO + C2H4)+ systems for Me = Be, Mg, and Zn have been determined employing PP-MRD-CI or an all electron MRD-CI procedure. A binding interaction in the ground state has been found for oxides, all cation systems, and the BeO + C2H4 system. In the cases of MgO + C2H4 and ZnO + C2H4, only low lying excited states exhibit attractive interactions. Among three oxides considered, BeO is less pronounced biradically than MgO and ZnO. In order to obtain a binding interaction between an oxide and the olefin in the ground state, the p orbital of the metal must be sufficiently involved in binding. 相似文献
82.
Witek MA Wei S Vaidya B Adams AA Zhu L Stryjewski W McCarley RL Soper SA 《Lab on a chip》2004,4(5):464-472
Electrokinetic transport of Escherichia coli and Saccharomyces cerevisiae (baker's yeast) cells was evaluated in microfluidic devices fabricated in pristine and UV-modified poly(methyl methacrylate)(PMMA) and polycarbonate (PC). Chip-to-chip reproducibility of the cell's apparent mobilities (micro(app)) varied slightly with a RSD of approximately 10%. The highest micro(app) for baker's yeast cells was observed in UV-modified PC with 0.5 mM PBS (pH = 7.4), and the lowest was measured in pristine PMMA with 20 mM PBS (pH = 7.4). Baker's yeast in all devices migrated toward the cathode because of their smaller electrophoretic mobility compared to the EOF. In 0.5 mM and 1 mM PBS, E. coli cells migrated toward the anode in all cases, opposite to the direction of the EOF due to their larger electrophoretic mobility. E. coli cells in 20 mM PBS migrated toward the cathode, which indicated that the electrophoretic mobility of E. coli cells decreased at higher ionic strengths. Observed differential migrations of E. coli and baker's yeast cells in appropriately prepared polymer microchips were used as the basis for selective introduction into microfluidic devices of only one type of cell. As a working model, experiments were performed with E. coli and RBCs (red blood cells). RBCs migrated toward the cathode in pristine PMMA with 1 mM and 20 mM PBS (pH = 7.4), opposite to the direction of the E. coli cells. By judicious choice of the buffer concentration in which the cell suspension was prepared and the polymer material, RBCs or E. coli cells were selectively introduced into the microdevice, which was monitored via laser backscatter signals. 相似文献
83.
Non-isothermal oxidation of linolenic acid (LNA) in bulk phase was monitored by differential scanning calorimetry. The kinetic
parameters E
a, Z and k (activation energies, pre-exponential factors, and rate constants, respectively) were calculated by Ozawa-Flynn-Wall method
for the first detectable exothermic effect of uninhibited LNA oxidation. The kinetic parameters were also calculated for LNA
oxidation inhibited by 2,6-di-tert-butyl-4-methylphenol (BHT), and two natural compounds, 1,3-dihydroxy-5-pentylbenzene (olivetol), and 4-(4’-hydroxy-3’-methoxyphenyl)-3-buten-2-one
(DHZ, dehydrozingerone) at various concentrations.
For oxidation processes at 25, 90 and 180°C the plots of logk values vs. concentration of phenolic compounds indicated that optimal concentration of inhibitor determined for one particular temperature
cannot be extrapolated to other temperatures. 相似文献
84.
85.
Anna Stochmal Barbara Moniuszko-Szajwaj Jerzy Zuchowski ukasz Pecio Bogdan Kontek Malgorzata Szumacher-Strabel Beata Olas Adam Cieslak 《Molecules (Basel, Switzerland)》2022,27(3)
It is not easy to find data in the scientific literature on the quantitative content of individual phytochemicals. It is possible to find groups of compounds and even individual compounds rather easily, but it is not known what their concentration is in cultivated or wild plants. Therefore, the subject of this study was to determine the content of individual compounds in the new Paulownia species, Oxytree, developed in a biotechnology laboratory in 2008 at La Mancha University in Spain. Six secondary metabolites were isolated, and their chemical structure was confirmed by spectral methods. An analytical method was developed, which was then used to determine the content of individual compounds in leaves, twigs, flowers and fruits of Paulownia Clon in Vitro 112®. No flavonoids were found in twigs and fruits of Oxytree, while the highest phenylethanoid glycosides were found in twigs. In this study, we also focused on biological properties (anticoagulant or procoagulant) of extract and four fractions (A–D) of different chemical composition from Paulownia Clon in Vitro 112 leaves using whole human blood. These properties were determined based on the thrombus-formation analysis system (T-TAS), which imitates in vivo conditions to assess whole blood thrombogenecity. We observed that three fractions (A, C and D) from leaves decrease AUC10 measured by T-TAS. In addition, fraction D rich in triterpenoids showed the strongest anticoagulant activity. However, in order to clarify the exact mechanism of action of the active substances present in this plant, studies closer to physiological conditions, i.e., in vivo studies, should be performed, which will also allow to determine the effects of their long-term effects. 相似文献
86.
Glucose oxidase was immobilised on nylon net by the method of O-alkylation using dimethyl sulfate and lysine as a spacer.
The influence of alkylation conditions on the characteristics of the resulting glucose electrode was evaluated. The best electrode
was then tested under batch and flow conditions, respectively. The influence of pH and temperature on electrode response were
examined. The glucose oxidase immobilised on nylon net seemed to be inhibited by glucose in alkaline pH and at higher temperatures.
Moreover, the shape of the electrode signal after addition of glucose was unusual. Glucose oxidase immobilised on nylon net
was unstable and lost its activity rather quickly, especially when stored dry in the refrigerator. Also the operational stability
of the electrode in the flow system was rather poor.
Received: 26 February 1998 / Revised: 22 May 1998 / Accepted: 29 June 1998 相似文献
87.
Glucose oxidase was immobilised on nylon net by the method of O-alkylation using dimethyl sulfate and lysine as a spacer. The influence of alkylation conditions on the characteristics of the resulting glucose electrode was evaluated. The best electrode was then tested under batch and flow conditions, respectively. The influence of pH and temperature on electrode response were examined. The glucose oxidase immobilised on nylon net seemed to be inhibited by glucose in alkaline pH and at higher temperatures. Moreover, the shape of the electrode signal after addition of glucose was unusual. Glucose oxidase immobilised on nylon net was unstable and lost its activity rather quickly, especially when stored dry in the refrigerator. Also the operational stability of the electrode in the flow system was rather poor. 相似文献
88.
The concept of Heider balance, usually applied to interpersonal relations, is generalized here to opinions gathered in surveys. At first, we compare four algorithms, which drive a matrix dataset to a balanced state. The criterion is that the final state obtained with an algorithm should be as close as possible to the initial state. The result is that deterministic differential equations work better than their Monte Carlo counterparts. Next, we apply the winning algorithms to the matrix of correlations between opinions gathered in American states between 1974 and 1998. The results are interpreted in terms of the classic comfort hypothesis (E. Babbie, 2007). 相似文献
89.
Using simulated annealing, we examine a bipartitioning of small worlds obtained by adding a fraction of randomly chosen links to a one-dimensional chain or a square lattice. Models defined on small worlds typically exhibit a mean-field behavior, regardless of the underlying lattice. Our work demonstrates that the bipartitioning of small worlds does depend on the underlying lattice. Simulations show that for one-dimensional small worlds, optimal partitions are finite size clusters for any fraction of additional links. In the two-dimensional case, we observe two regimes: when the fraction of additional links is sufficiently small, the optimal partitions have a stripe-like shape, which is lost for a larger number of additional links as optimal partitions become disordered. Some arguments, which interpret additional links as thermal excitations and refer to the thermodynamics of Ising models, suggest a qualitative explanation of such a behavior. The histogram of overlaps suggests that a replica symmetry is broken in a one-dimensional small world. In the two-dimensional case, the replica symmetry seems to hold, but with some additional degeneracy of stripe-like partitions. 相似文献
90.
A procedure for the extraction of Cr(VI) from solid soil-like samples was presented in which the complexing properties of
diethylenetriaminepentaacetic acid (DTPA) were exploited to extract insoluble compounds of Cr(VI). A concentration of DTPA
in an ammonium sulphate/ammonium hydroxide buffer equal to 0.02 mol l−1 was chosen. The conditions of extraction of insoluble Cr(VI) from solid samples were optimised using soil certified reference
material spiked with known concentration of insoluble Cr(VI) added as PbCrO4. The extracts were analysed by adsorptive stripping voltammetry. Validation of the proposed procedure of extraction was carried
out by analysis of certified reference material (CRM) 545 and comparison of the results obtained using the proposed and other
methods of extraction in the course of analysis of natural soil samples. 相似文献