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1.
S.-Y. Sheu D.-Y. Yang H.L. Selzle E.W. Schlag 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):557-563
Charge transport is one important example of signal transduction in a protein which is responsible for action at a distance,
and is a fundamental process in biochemical action. A model is presented in which electronic effects interact with motional
processes to combine into a bifunctional model. This model is investigated with new detailed molecular dynamics calculations
and successfully explains such action at a distance.
Received 1st February 2002 / Received in final form 26 May 2002 Published online 13 September 2002 相似文献
2.
Molecular dynamics simulations have been carried out for small water clusters (N=16, 32, 64) in a d.c. electric field at T=200 K. It was shown that for relatively weak fields, there was a significant decrease of reorientational and structural relaxation times for all cluster sizes examined. Regarding the molecular reorientational motions, in the strong field regime, a decoupling of tumbling and spinning librations was observed. Reorientational relaxation times of the dipole and
vector joining the two hydrogen atoms were found to follow different relaxation laws, with the former decreasing and the latter increasing with electric field increase. These trends were qualitatively explained by invoking the Debye model with field-dependent friction for dipole librations and the symmetric double-well for spinning rotations on a plane perpendicular to the field axis. Finally, the interdependence of the reorientation on the translational modes of the cluster was indicated, with the translationally slow molecules being rotationally slow as well and vice versa. 相似文献
3.
Rong-Seng Chang Jin-Yi Sheu Ching-Huang Lin He-Chiang Liu 《Optics & Laser Technology》2003,35(1):43-47
A new approach based on the moiré theory and wavelet transform (WT) is proposed for measuring the micro-range distance between a charge-couple-device (CCD) camera and a two-dimensional reference grating. The micro-range distance is determined by measuring the pitch of the moiré pattern image, which is digitized by a CCD camera. A one-dimensional WT algorithm is applied to estimate the pitch of the moiré pattern. Experimental results prove that this technique is very efficient and highly accurate. The moiré range finder is an economic technique for measuring a micro-range distance. 相似文献
4.
Jia‐Yuh Sheu Yeh‐Long Chen Cherng‐Chyi Tzeng Shu‐Lin Hsu Kuo‐Chang Fang Tai‐Chi Wang 《Helvetica chimica acta》2003,86(7):2481-2489
Certain 1‐ethyl‐ and 1‐aryl‐6‐fluoro‐1,4‐dihydroquinol‐4‐one derivatives were synthesized and evaluated for antimycobacterial and cytotoxic activities. Preliminary results indicated that, for 1‐aryl‐6‐fluoroquinolones, both 7‐(piperazin‐1‐yl)‐ and 7‐(4‐methylpiperazin‐1‐yl) derivatives, 9b and 11a , are able to completely inhibit the growth of M. tuberculosis at a concentration of 6.25 μg/ml, while the 7‐[4‐(2‐oxo‐2‐phenylethyl)piperazin‐1‐yl] derivative 13 exhibits only 31% growth inhibition at the same concentration. For 1‐ethyl‐6‐fluoroquinolones, both 7‐[4‐(2‐oxopropyl)piperazin‐1‐yl]‐ and 7‐[4‐(2‐oxo‐2‐phenylethyl)piperazin‐1‐yl]‐derivatives, 2a and 2b , respectively, show complete inhibition, while their 2‐iminoethyl and substituted phenyl counterparts 3a and 2c are less active. In addition, the 6,8‐difluoro derivative was a more‐favorable inhibitor than its 6‐fluoro counterpart ( 2b vs. 2d ). These results deserve full attention especially because 2a, 2b, 9b , and 11a are non‐cytotoxic at a concentration of 100 μM . Furthermore, compound 9b proved to be a potent anti‐TB agent with selective index (SI)>40 and an EC90 value of 5.75 μg/ml. 相似文献
5.
We study the large-time behavior and rate of convergence to the invariant measures of the processes dX
(t)=b(X)
(t)) dt + (X
(t)) dB(t). A crucial constant appears naturally in our study. Heuristically, when the time is of the order exp( – )/2 , the transition density has a good lower bound and when the process has run for about exp( – )/2, it is very close to the invariant measure. LetL
=(2/2) – U · be a second-order differential operator on d. Under suitable conditions,L
z has the discrete spectrum
- \lambda _2^\varepsilon ...and lim \varepsilon ^2 log \lambda _2^\varepsilon = - \Lambda \hfill \\ \varepsilon \to 0 \hfill \\ \end{gathered} $$
" align="middle" vspace="20%" border="0"> 相似文献
6.
Determination of ephedrine alkaloids by capillary electrophoresis 总被引:11,自引:0,他引:11
A simple and rapid method for the simultaneous determination of six ephedrine alkaloids (ephedrine, pseudoephedrine, norephedrine, norpseudoephedrine, methylephedrine and methylpseudoephedrine) in Ephedrae herba by capillary electrophoresis was developed. A buffer solution that contained 0.005 M barium hydroxide and 0.02 M isoleucine and adjusted to pH 10.0 with ammonia solution was found to be the most suitable electrolyte for this separation. The contents of the six alkaloids in the crude drug of Ephedrae herba could be easily determined. 相似文献
7.
A direct and efficient method for the conversion of alkyl aryl ketones to imidazo[1,2‐α]pyridines has been developed based on initial formation of α‐organosulfonyloxy ketones and their subsequent cyclocondensation by 2‐aminopyridines in one‐pot conditions. 相似文献
8.
The room temperature ionic liquid n‐butylpyridinium tetrafluoroborate (BPyBF4) is used as a ‘green’ recyclable alternative to classical molecular solvents for the cyclocondensation of α‐tosyloxyketones with 1‐aminoisoquinoline to prepare imidazo[2,1‐a]isoquinolines in good yields. 相似文献
9.
Poly(ethylene terephthalate) film was used as supporter for preparation of polyamide layer. The most convenient method of preparation was described. This layer can be cut into any size and its sensitivity is higher than the glass plate supported layer. Twenty aromatic nitro compounds were used to show the behavior of polyester film based polyamide layer. 相似文献
10.
Bartlett PA Yusuff N Rico AC Lindvall MK 《Journal of the American Chemical Society》2002,124(15):3853-3857
The hydrophobic component to the binding affinities of one acyclic phosphinate (4) and three macrocyclic phosphonamidate inhibitors (1-3) to the zinc peptidase thermolysin was probed by varying the solvent composition. Increasing the percentage of ethanol in the buffer solution over the range 0-9% increases the inhibition constants, K(i), by up to an order of magnitude. This approach represents an experimental method for distinguishing solvation from conformational or other effects on protein-ligand binding. The size of the "antihydrophobic effect" is correlated with the amount of hydrophobic surface area sequestered from solvent on association of the inhibitor and enzyme, although it is attenuated from that calculated from the surface tension of ethanol-water mixtures. The results are consistent with the Lum-Chandler-Weeks explanation for the size dependence of the hydrophobic effect. 相似文献
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