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排序方式: 共有1371条查询结果,搜索用时 15 毫秒
1.
Dominik Vítek Prof. Aleš Růžička Lise Vermeersch Dr. Libor Dostál Dr. Jan Turek Prof. Roman Jambor 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(70):e202202639
Reactivity studies of the GeII→B complex L(Cl)Ge⋅BH3 ( 1 ; L=2-Et2NCH2-4,6-tBu2-C6H2) were performed to determine the effect on the GeII→B donation. N-coordinated compounds L(OtBu)Ge⋅BH3 ( 2 ) and [LGe⋅BH3]2 ( 3 ) were prepared. The possible tuning of the GeII→B interaction was proved experimentally, yielding compounds 1-PPh2-8-(LGe)-C10H6 ( 4 ) and L(Cl)Ge⋅GaCl3 ( 5 ) without a GeII→B interaction. In 5 , an unprecedented GeII→Ga coordination was revealed. The experimental results were complemented by a theoretical study focusing on the bonding in 1 − 5 . The different strength of the GeII→E (E=B, Ga) donation was evaluated by using energy decomposition analysis. The basicity of different L(X)Ge groups through proton affinity is also assessed. 相似文献
2.
3.
C.J. MeiningH.A. Nickel A.B. Dzyubenko A. PetrouM. Furis D.R. Yakovlev B.D. McCombe 《Solid State Communications》2003,127(12):821-827
Many body effects contribute significantly to the energy states of electron-hole pairs confined in quantum wells in the presence of excess electrons. We present results of optically detected resonance spectroscopy of the internal transitions of photo-excited electron-hole pairs in the presence of excess electrons for GaAs QWs and CdTe QWs. Compared to the case of isolated negatively charged excitons, excess electrons produce a large blue shift of the internal transitions in modulation-doped GaAs quantum wells (QWs) for filling factor <2, and similar effects are found in CdTe QWs. For filling factor >2 no internal transitions are observed. These measurements demonstrate the strong effects of electron-electron correlations on the internal transitions of charged excitons in these quasi-2D systems and the importance of magnetic translation invariance. In the presence of excess electrons, the observed internal transitions are those of a magnetoplasmon bound to a mobile valence band hole. 相似文献
4.
Ronald H. Nickel Igor Mikolic-Torreira Jon W. Tolle 《Computational Optimization and Applications》2006,35(1):109-126
Deployed US Navy aircraft carriers must stock a large number of spare parts to support the various types of aircraft embarked
on the ship. The sparing policy determines the spares that will be stocked on the ship to keep the embarked aircraft ready
to fly. Given a fleet of ten or more aircraft carriers and a cost of approximately 50 million dollars per carrier plus the
cost of spares maintained in warehouses in the United States, the sparing problem constitutes a significant portion of the
Navy’s resources. The objective of this work is to find a minimum-cost sparing policy that meets the readiness requirements
of the embarked aircraft. This is a very large, nonlinear, integer optimization problem. The cost function is piecewise linear
and convex while the constraint mapping is highly nonlinear. The distinguishing characteristics of this problem from an optimization
viewpoint are that a large number of decision variables are required to be integer and that the nonlinear constraint functions
are essentially “black box” functions; that is, they are very difficult (and expensive) to evaluate and their derivatives
are not available. Moreover, they are not convex. Integer programming problems with a large number of variables are difficult
to solve in general and most successful approaches to solving nonlinear integer problems have involved linear approximation
and relaxation techniques that, because of the complexity of the constraint functions, are inappropriate for attacking this
problem. We instead employ a pattern search method to each iteration of an interior point-type algorithm to solve the relaxed
version of the problem. From the solution found by the pattern search on each interior point iteration, we begin another pattern
search on the integer lattice to find a good integer solution. The best integer solution found across all interations is returned
as the optimal solution. The pattern searches are distributed across a local area network of non-dedicated, heterogeneous
computers in an office environment, thus, drastically reducing the time required to find the solution. 相似文献
5.
A path-integral molecular dynamics technique for strongly interacting atoms using ab initio potentials derived from density functional theory is implemented. This allows the efficient inclusion of nuclear quantum dispersion in ab initio simulations at finite temperatures. We present an application to the quantum cluster H
5
+
. 相似文献
6.
Horst W. Hamacher Martine Labbé Stefan Nickel Anders J.V. Skriver 《Annals of Operations Research》2002,110(1-4):33-53
Locating a facility is often modeled as either the maxisum or the minisum problem, reflecting whether the facility is undesirable (obnoxious) or desirable. But many facilities are both desirable and undesirable at the same time, e.g., an airport. This can be modeled as a multicriteria network location problem, where some of the sum-objectives are maximized (push effect) and some of the sum-objectives are minimized (pull effect).We present a polynomial time algorithm for this model along with some basic theoretical results, and generalize the results also to incorporate maximin and minimax objectives. In fact, the method works for any piecewise linear objective functions. Finally, we present some computational results. 相似文献
7.
The influence of the controlled addition of N2 and of O2 to Ar on the analytical parameters of a dc glow discharge has been investigated for bulk samples of the pure metals Al, Ti, Fe, Ni, Cu, and Ag. The constant voltage discharge mode at 1000 V was applied with a mean power of about 1 W/mm2. The N2 and O2 concentrations in the discharge gas Ar were varied in the range 0–3 mass-%, corresponding to a partial pressure of about 4 · 10?3 hPa. The general effect of the gaseous addition is the decrease of the sputtering rate with an increasing concentration of N2 or O2. Atomic processes, which might be responsible for the observed effects, are discussed. 相似文献
8.
H. Nickel J. Rottmann H. J. Stöcker und A. Köster-Pflugmacher 《Fresenius' Journal of Analytical Chemistry》1965,209(1):226-242
Zusammenfassung Es wurden vergleichbare Versuche über die Bestimmung von Sauerstoff in Urancarbiden nach der Heißextraktionsmethode sowohl unter Vakuum als auch mit Hilfe des Trägergasverfahrens durchgeführt. Dabei zeigte es sich, daß für unsere Zwecke die Vakuumextraktion der Trägergasmethode überlegen ist. Von den untersuchten Badmetallen Eisen, Kobalt und Nickel lieferte das Kobalt bei Temperaturen von 1900 und 2000° C die besten Ergebnisse. Das Analysengut wurde in Stückchen in die Bäder gegeben. Die Verwendung von Pulvern erwies sich als ungünstig. Durch metallographische und autoradiographische Untersuchungen konnte dieses Verhalten u. a. durch Graphitausscheidungen in den Bädern erklärt werden. Thermodynamische Abschätzungen stimmten mit den Experimenten überein.
Fräulein U. Haarmann und Frau E. Popien danken wir für die tatkräftige Mithilfe bei der Durchführung der experimentellen Arbeiten. 相似文献
Summary Comparable experiments on the analysis of oxygen impurities in uranium carbides by vacuum-fusion and inertgas-fusion methods have been performed, using various temperatures and bath compositions (iron, cobalt, and nickel). The latter fusion method proved to be unsatisfactory. Best results were obtained by the vacuum-fusion method, using a cobalt bath at 1900–2000° C. Thermodynamic evaluations were in good agreement with the experimental results. Metallographic and autoradiographic investigations explained that the unfavourable behaviour of powdered samples compared to massive samples was above all due to the increasing graphite precipitation in the bath.
Fräulein U. Haarmann und Frau E. Popien danken wir für die tatkräftige Mithilfe bei der Durchführung der experimentellen Arbeiten. 相似文献
9.
10.
Treatment of the phenyl-substituted silane 4 with lithium metal afforded the functionalized lithiosilane rac-2 by selective cleavage of one Si-C bond between silicon and a phenyl group. The resulting lithiosilane rac-2 crystallizes as the dimer (2.THF)2, which represents the first example of a dimeric organyl-substituted lithiosilane in the presence of THF. 相似文献