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71.
Kh. Z. Brainina L. G. Galperin T. Yu. Kiryuhina A. L. Galperin N. Yu. Stozhko A. M. Murzakaev O. R. Timoshenkova 《Journal of Solid State Electrochemistry》2012,16(7):2365-2372
This article presents the findings of microscopic and electrochemical studies of electrooxidation of silver nanoparticles of varying sizes in comparison with “bulk” silver. Silver particles were immobilized on the surface of indifferent carbon-containing screen-printed electrodes. Vacuum-deposited silver represented the “bulk” electrode. The calculations and experimental studies demonstrated that the transition from macro- to nanostructural electrodes is followed by a shift of the maximum current potential of metal oxidation into the area with more negative potentials. A positive correlation between experimental and calculated data confirms once again a relevant application of the earlier proposed mathematical model and the possible use of the shift of the maximum current potential of electrooxidation to describe the electrochemical activity and surface energy properties of metal nanoparticles. 相似文献
72.
73.
Using a model comprising a two-level bridge connecting free electron reservoirs we show that coupling of a molecular bridge to electron-hole excitations in the leads can markedly effect the source-drain current through a molecular junction. In some cases, e.g., molecules that exhibit strong charge transfer transitions, the contribution from electron-hole excitations can exceed the Landauer elastic current and dominate the observed conduction. 相似文献
74.
Structural Variability of R2C Adducts of 3a,6a‐Diaza‐1,4‐diphosphapentalene: Tuning the N→P Bonding
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Alexander N. Kornev Vadim E. Galperin Yulia S. Panova Alla V. Arapova Evgenii V. Baranov Georgy K. Fukin Gleb A. Abakumov 《无机化学与普通化学杂志》2017,643(19):1208-1214
3a,6a‐Diaza‐1,4‐diphosphapentalene (DDP) reacts with hexachlorocyclopentadiene to form a stable adduct (ClC)4C=DDP ( 4 ). The phosphorus atom involved into coordination has a pyramidal arrangement but retains partial double bonding with carbon [1.752(3) Å]. At the same time, the P–N bond remains covalent [1.824(3) Å]. The adduct 4 is better described as a zwitterionic compound with strongly delocalized positive and negative charges. A similar zwitterionic adduct DDP=C(CN)2 was prepared by the reactions of dichloro‐DDP ( 7 ) with malononitrile in the presence of Et3N. DFT calculations showed that related structures are formed in the case of the substituents (ClC)4C=, (HC)4C=, (NC)2C=, and (MeCO)2C=, possessing electron‐delocalizing properties. Compounds with other R2C groups (R = Ph, Me, C6F5, Cl), possessing electronegative properties as well, but insufficient e‐delocalization, demonstrate the noncovalent P–N bonding and a little shorter R2C–P bond lengths (ca. 1.70 Å). 相似文献
75.
Within a generalized version of previously considered model of a molecular spin pump controlled by an external electric field [J. Fransson and M. Galperin, Phys. Rev. B, 2010, 81, 075311] we discuss thermal properties of such spintronic devices. The spin Seebeck coefficient of a molecular spin pump is introduced, and several possible definitions of a nonequilibrium Seebeck coefficient are discussed. The influence of inelastic effects in spin transport on its thermospintronic characteristics are demonstrated within numerical examples. 相似文献
76.
E. A. Galperin 《Journal of Optimization Theory and Applications》1997,93(3):533-545
There is much controversy about the balance space approach, introduced first in Ref. 1, pp. 138–140, with the consideration of the balance number and balance vectors, and then further developed in Ref. 2, with the consideration of balance points and balance sets. There were attempts to identify the balance space approach with some other methods of multiobjective optimization, notably the method proposed in Ref. 3 and most recently Pareto analysis, as presented in Ref. 4. In this paper, we compare Pareto analysis with the balance space approach on several examples to demonstrate the interrelation and the differences of the two methods. As a byproduct, it is shown that, in some cases, the entire Pareto sets, proper and adjoint, can be determined very simply, without any special investigation of the (nonscalarized, nonconvex) multiobjective global optimization problem. The method of parameter introduction is presented in application to determining the Pareto sets and balance set. The use of computer graphics software complemented with the Gauss–Jordan matrix reduction algorithm is proposed for a class of otherwise intractable problems with nonconvex constraint sets. 相似文献
77.
Average persistent current over a set of diffusive metallic rings with fixed number of electrons is considered. We study the
case in which the phase breaking time is much greater than an inverse average interlevel distance. In such a case, many return
events for an electron must be taken into account. As a result, one arrives at a nonperturbative problem for a cooperon mode
fixed by an external magnetic field. This multi-cooperon problem has been considered previously by Altland et al., [Europhys. Lett. 20, 155 (1992)] and in several following papers within the framework of supersymmetric approach. Such an approach involves very
tedious calculations which were performed using a computer algebraic package. Here we solve the problem in question with the
help of a replica trick. It is demonstrated that the replica trick in combination with a proper analytical continuation in
the replica space allows one to obtain the result in much more explicit way.
Zh. éksp. Teor. Fiz. 111, 1057–1070 (March 1997)
Published in English in the original Russian journal. Reproduced here with stylistic changes by the Translation Editor. 相似文献
78.
We discuss several proposed explanations for the switching and negative differential resistance (NDR) behavior seen in some molecular junctions. Several theoretical models are discussed, and we present results of electronic structure calculations on a series of substituted oligo(phenylene ethynylene) molecules. It is shown that a previously proposed polaron model is successful in predicting NDR behavior, and the model is elaborated with image charge effects and parameters from electronic structure calculations. This model now incorporates substituent effects and includes the effects of conformational change, charging, and image charge stabilization. 相似文献
79.
80.
Khiena Z. Brainina Leonid G. Galperin Aleksandr L. Galperin 《Journal of Solid State Electrochemistry》2010,14(6):981-988
A mathematical model is proposed that describes the processes of electrooxidation of metal nanoparticles localized on the
surface of an indifferent macroelectrode. In contrast to previously proposed models based on geometric factors (shapes of
particles and diffusion zones), the proposed model has introduced thermodynamic considerations which take into account the
energy differences between the nanoparticle ensembles from microparticles and macroparticles. A series of voltammograms was
obtained as a result of calculations and characteristic relationships between the different parameters were found. An analysis
of the findings, on the one hand, predicts the shape and characteristic features of the experimental voltammograms and, on
the other hand, provides information regarding energetic properties of the nanoparticles. 相似文献