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排序方式: 共有937条查询结果,搜索用时 31 毫秒
81.
Cristian Rodrigo Muzzio Nicolás Gabriel Dini Adrián César Razzitte 《Physics and Chemistry of Liquids》2017,55(4):506-521
Highly concentrated electrolyte solutions were studied through a Monte Carlo-based simulator, developed to consider the water molecules not a homogeneous dielectric as usual, but as dipoles that can move and rotate within a 3D lattice. This approach allowed fast calculations of detailed interactions between the particles, which were described from mechanistic potentials including dipole–dipole, ion–dipole, ion–ion, and hydrogen bonding (HB) interactions. A good agreement was found between experimental data and simulated results. The study also provides new insights about the balance of the different interactions in systems with or without electrolytes, and the effects of the electrolytes addition on the original water structure. The proposed model was also compared with previous explicit models. 相似文献
82.
83.
Hans J. Breunig Tim Koehne Ana Maria Preda Cristian Silvestru Luis F. Piedra-Garza 《Journal of organometallic chemistry》2010,695(9):1307-1313
The syntheses and spectroscopic (NMR, MS) investigations of the antimonates [Ph4P]+[Me2SbCl4]− (1), [Me4Sb]+[Me2SbCl4]− (2), [Et4N]+[Ph2SbCl4]− (3), [Bu4N]+[Ph2SbCl4]− (4), [Me4Sb]+[Ph2SbCl4]− (5), [Et3MeSb]+[Ph2SbCl4]− (6), [Et4N]+[Ph2SbF4]− (7) and [Et4N]+[Ph2SbBr4]− (8) are reported. Halogen scrambling reactions of Et4NBr or Ph4EBr (E = P, Sb) with R2SbCl3 (R = Me, Ph) produce mixtures of compounds from which crystals of [Et4N]+[Ph2SbBr1.24Cl2.76]− (9), [Et4N]+[Ph2SbBr2.92Cl1.08]− (10) or [Ph4Sb]+[Me2SbCl4]− (11) were isolated. The crystal and molecular structures of 1 and 3-11 are reported. 相似文献
84.
Niculina D. Bogdan Dr. Mihaela Matache Veronika M. Meier Dr. Cristian Dobrotă Dr. Ioana Dumitru Gheorghe D. Roiban Dr. Daniel P. Funeriu Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(7):2170-2180
Herein we describe the design and synthesis of the first series of di‐functional ligands for the directed construction of inorganic‐protein frameworks. The synthesized ligands are composed of a metal‐ion binding moiety (terpyridine‐based) conjugated to an epoxysuccinyl peptide, known to covalently bind active cysteine proteases through the active‐site cysteine. We explore and optimize two different conjugation chemistries between the di‐functionalized metal‐ion ligand and the epoxysuccinyl‐containing peptide moiety: peptide‐bond formation (with limited success) and CuI‐catalysed click chemistry (with good results). Further, the complexation of the synthesized ligands with FeII and NiII ions is investigated: the di‐functional ligands are confirmed to behave similarly to the parent terpyridine. As designed, the peptidic moiety does not interfere with the complexation reaction, in spite of the presence of two triazole rings that result from the click reaction. ES‐MS together with NMR and UV/Vis studies establish the structure, the stoichiometry of the complexation reactions, as well as the conditions under which chemically sensitive peptide‐containing polypyridine ligands can undergo the self‐assembly process. These results establish the versatility of our approach and open the way to the synthesis of di‐functional ligands containing more elaborated polypyridine ligands as well as affinity labels for different enzyme families. As such, this paper is the first step towards the construction of robust supramolecular species that cover a size‐regime and organization level previously unexplored. 相似文献
85.
In this review, we provide an organized summary of the theoretical and computational results that are available for polymers subject to spatial or topological constraints. Because of the interdisciplinary character of the topic, we provide an accessible, non-specialist introduction to the main topological concepts, polymer models, and theoretical/computational methods used to investigate dense and entangled polymer systems. The main body of our review deals with (i) the effect that spatial confinement has on the equilibrium topological entanglement of one or more polymer chains and (ii) the metric and entropic properties of polymer chains with fixed topological states. These problems have important technological applications and implications for life sciences. Both aspects, especially the latter, are amply covered. A number of selected open problems are finally highlighted. 相似文献
86.
Cristian?E.?BotezEmail author Abdul?W.?Bhuiya Ronald?J.?Tackett 《Applied Physics A: Materials Science & Processing》2011,104(1):177-181
We have used temperature- and frequency-resolved ac-susceptibility measurements to investigate the magnetic relaxation of
a Co0.2Fe2.8O4 magnetic fluid above the freezing point of the liquid carrier. Our data show that both the Néel and the Brown relaxation mechanisms are operative
at temperatures in the vicinity of the out-of-phase (imaginary) susceptibility peak. We separate the contributions of the
two mechanisms to the overall relaxation time, and demonstrate that Brownian relaxation plays a dominant role at all temperatures
within this high-dissipation regime. 相似文献
87.
We give conditions on the kernel function (or activation function) for the family of radial basis function (RBF) neural networks obtained upon replacing the usual translation by the Delsarte one, with not necessarily the same smoothing factor in all kernel nodes, to have the universal approximation property in suitable weighted Lp-spaces (1?p<∞). A complete characterization of such kernels for p=1 and p=2 is provided. 相似文献
88.
Mamie Sancy Jorge Pavez Miguel A. Gulppi Ivanildo Luiz de Mattos Ramiro Arratia‐Perez Cristian Linares‐Flores Maritza Paez Tebello Nyokong José H. Zagal 《Electroanalysis》2011,23(3):711-718
We have studied the trends in catalytic activity of several Co macrocyclics confined on the surface graphite electrodes for the oxidation of thiocyanate. A plot of log i (at constant E) versus the formal potential of the catalyst gives a volcano correlation, indicating that the Co(II/I) redox potential needs to be tuned, in order to achieve maximum reactivity. Graphite electrodes modified with Co phthalocyanine at pH 4 exhibit linear amperometric response for thiocyanate concentration in the range 10?7 and 10?3 M. Theoretical calculations show that electrocatalytic activity (as log i at constant E) plotted versus the energy of the LUMO of the Co complex also gives a volcano correlation. 相似文献
89.
Cristian Bereanu Petru Jebelean Jean Mawhin 《Journal of Dynamics and Differential Equations》2010,22(3):463-471
In this paper we study the existence and multiplicity of periodic solutions of pendulum-like perturbations of bounded or singular
f{\phi}-Laplacians. Our approach relies on the Leray-Schauder degree and the upper and lower solutions method. 相似文献
90.
Cristian Bodin Fredrik Mauritzson Rob Horsefield Anna Aagaard Hongwei Guo Linda Öster Lisa Wissler Margareta Ek 《Journal of synchrotron radiation》2012,19(2):288-289
Currently there is no rack system for the long‐term storage of SPINE pucks in spite of their commercial availability and heavy usage at the ESRF. The only way to store pucks is in transport dewar canisters which presents a number of limitations and drawbacks. Here a simple affordable rack for storing SPINE pucks is described, which we believe is accessible to not only synchrotrons but also both academic and industrial research laboratories. 相似文献