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11.
12.
Hünig I Painter AJ Jockusch RA Carçabal P Marzluff EM Snoek LC Gamblin DP Davis BG Simons JP 《Physical chemistry chemical physics : PCCP》2005,7(12):2474-2480
The gas phase structures of phenyl alpha- and beta-d-xylopyranoside (alpha- and beta-pXyl) and their mono-hydrates have been investigated using a combination of resonant two-photon ionization (R2PI), ultra-violet hole-burning and resonant infrared ion dip spectroscopy, coupled with density functional theory (DFT) and ab initio computation. The hole-burning experiments indicate the population of a single conformer only, in each of the two anomers. Their experimental and calculated infrared spectra are both consistent with a conformational assignment corresponding to the computed global minimum configuration. All three OH groups are oriented towards the oxygen atom (O1) on the anomeric carbon atom to form an all trans(ttt) counter-clockwise chain of hydrogen bonds. The mono-hydrates, alpha- and beta-pXyl(H(2)O) each populate two distinct structures in the molecular beam environment, with the water molecule inserted between OH4 and OH3 or between OH3 and OH2 in alpha-pXyl(H2O), and between OH2 and O1 in either of two alternative orientations, in beta-pXyl(H2O). In all of the mono-hydrated xyloside complexes, the water molecule inserts into the weakest link of the sugar molecules' hydrogen-bonded chain of hydroxy groups, creating a single extended chain, strengthened by co-operativity. The all-trans configuration of the xylose moiety is retained and the mono-hydrate structures correspond to those calculated to lie at the lowest relative energies. 相似文献
13.
The solid–liquid equilibria of the ternary system H2O–Fe(NO3)3–Co(NO3)2 were studied by using a synthetic method based on conductivity measurements.
Two isotherms were established at 0 and 15 °C, and the stable solid phases which appear are the iron nitrate nonahydrate (Fe(NO3)3·9H2O), the iron nitrate hexahydrate (Fe(NO3)3·6H2O), the cobalt nitrate hexahydrate (Co(NO3)2·6H2O) and the cobalt nitrate trihydrate (Co(NO3)2·3H2O). 相似文献
14.
Simons S. Cohen 《Chemical physics letters》1973,18(3):371-374
Values of triplet yields for dilute solutions of benzene in methylcylohexane, cyclohexane, methanol, ethanol, acetonitrile, perfluoro-n- hexane, and water, and also fluorescence yields and lifetimes in perfluoro-n-hexane are reported. The calculated rate constants for fluorescence and intersystem crossing are only slightly affected by solvent, except for water. The enhancement of “internal conversion” by increasing solvent polarity is interpreted as a result of an increase in the pre-exponential factor for a possible 1(π,π*) → 1(σ,π*) transition. 相似文献
15.
By measuring the relative CO quantum yields from ketene photolysis as a function of photolysis wavelength we have determined the threshold energy at 25° for CH2CO(1A1) → CH2(3B1) + CO(1Σ+) to be 75.7 ± 1.0 kcal/mole. This corresponds to a value of 90.7 ± 1.0 kcal/mole for ΔHf2980[CH2(3B1)]. By measuring the relative ratio of CH2(1A1)/CH2(3B1) from ketene photolysis as a function of photolysis wavelength we have determined the threshold energy at 25°C for CH2CO(1A1) → CH2(1A1) + CO(1Σ+) to be 84.0 ± 0.6 kcal/mole. This corresponds to a value of 99.0 ± 0.6 kcal/mole for ΔHf2980[CH2(1A1)]. Thus a value for the CH2(3B1) ? CH2(1A1) energy splitting of 8.3 ± 1 kcal/mole is determined, which agrees with three other recent independent experimental estimates and the most recent quantum theoretical calculations. 相似文献
16.
Liquid bridges formed between particles of dissimilar surface properties are important in many processes involving the handling of powders in mixtures. For instance, growth kinetic models for wet granulation frequently incorporate the evolution and resistance to breakage of individual liquid bridges between particles in a statistical form. These models generally propose a confusing definition of liquid-to-solid contact angles. Taken as a single thermodynamic value, they typically neglect the influence of wetting hysteresis on the liquid bridge. In this paper, a simple model based on the interfacial energies is proposed for the evolution of liquid bridges when one solid-liquid interface reduces. This receding process is well described by a balance between the adhesion energy of the bridge liquid on the particle surface and the capillary energy stored by the liquid free surface. The extent of solid-liquid interfacial area reduction can hence be predicted from the initial liquid bridge configuration. The liquid bridge shape is approximated by a parabolic curve, which is validated from the good agreement between measured and calculated contact angles or liquid-vapor interfacial area. Copyright 2000 Academic Press. 相似文献
17.
Stanley HE Buldyrev SV Goldberger AL Hausdorff JM Havlin S Mietus J Peng C-K Sciortino F Simons M 《Physica A》1992,191(1-4):1-12
Here we discuss recent advances in applying ideas of fractals and disordered systems to two topics of biological interest, both topics having common the appearance of scale-free phenomena, i.e., correlations that have no characteristic length scale, typically exhibited by physical systems near a critical point and dynamical systems far from equilibrium. (i) DNA nucleotide sequences have traditionally been analyzed using models which incorporate the possibility of short-range nucleotide correlations. We found, instead, a remarkably long-range power law correlation. We found such long-range correlations in intron-containing genes and in non-transcribed regulatory DNA sequences as well as intragenomic DNA, but not in cDNA sequences or intron-less genes. We also found that the myosin heavy chain family gene evolution increases the fractal complexity of the DNA landscapes, consistent with the intron-late hypothesis of gene evolution. (ii) The healthy heartbeat is traditionally thought to be regulated according to the classical principle of homeostasis, whereby physiologic systems operate to reduce variability and achieve an equilibrium-like state. We found, however, that under normal conditions, beat-to-beat fluctuations in heart rate display long-range power law correlations. 相似文献
18.
Summary This paper introduces a mathematical framework within which a wide variety of known and new inequalities can be viewed from a common perspective. Probability and expectation inequalities of the following types are considered: (a)P(ZA) P(ZA) for some class of setsA, (b)k(Z)k(Z) for some class of functionsk, and (c)l(Z)k(Z) for some class of pairs of functionsl andk. It is shown, sometimes using explicit constructions ofZ andZ, that, in several cases, (a) (b) (c); included here are cases of normal and elliptically contoured distributions. A case where (a) (b) (c) is studied and is expressed in terms ofn monotone functions for (some of) which integral representations are obtained. Also, necessary and sufficient conditions for (c) are given.Research supported by the Air Force Office of Scientific Research under Grants AFOSR-75-2796 and AFOSR-80-0080Research supported by the National Science Foundation under Grants MCS78-01240 and MCS81-00748 相似文献
19.
Daniel S. Covita Dimitrios F. Anagnostopoulos Hermann Fuhrmann Hubert Gorke Detlev Gotta Alexander Gruber Albert Hirtl Tomoichi Ishiwatari Paul Indelicato Thomas S. Jensen Eric-Olivier Le Bigot Valeri E. Markushin Michael Nekipelov Vladimir N. Pomerantsev Vladimir P. Popov Joaquim M. F. dos Santos Philipp Schmid Leopold M. Simons Marian Theisen Martino Trassinelli Joao F. C. A. Veloso Johann Zmeskal 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2018,72(4):72
20.