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1.
J. C. S. Moraes E. M. Telles F. C. Cruz A. Scalabrin D. Pereira C. Garelli N. Ioli A. Moretti F. Strumia 《International Journal of Infrared and Millimeter Waves》1991,12(12):1475-1486
We report the discovery of 57 new fir laser lines from13CD3OH molecule optically pumped by a waveguide CO2 laser of 300 MHz tunability. For all lines, precise frequency offset measurements between the CO2 line center and the center of the absorbing13CD3OH line were performed using the transferred Lamb-Dip technique. We have also measured directly the frequency of seven FIR laser lines by heterodyning with already known laser lines. We present a complete list of all known laser lines (134) and frequency measurements (24) for this molecule.Work supported by CNPq, FAPESP, FAEP-Brasil, and CNR-Italia 相似文献
2.
G. Carelli A. Di Siena N. Ioli A. Moretti G. Moruzzi F. Strumia 《International Journal of Infrared and Millimeter Waves》1994,15(4):619-633
We have measured the frequencies of four CH3OH far-infrared laser lines that were previously known only by wavelength measurement. Two of these lines turned out to be doublets, bringing the total number of measured lines to six. We can now confirm the assignments of five of them and definitely disprove the assignments proposed for the sixth.In particular we confirm the assignments for the four strong laser lines at 205 and 208 µm pumped by the 9-P(34) CO2 laser line. These lines share a common upper level in the first excited CO-stretch state, and terminate in the upper and lower levels of a hybrid state with J=5. Heterodyne frequency measurements and conventional microwave spectroscopy show that both lines are split into two components approximately 3.5 MHz apart. The origin of this further splitting is interpreted as a perturbed K-splitting.Work supported by Consiglio Nazionale delle Ricerche -Italia 相似文献
3.
We introduce a family of matrices that define logics in which paraconsistency and/or paracompleteness occurs only at the level of literals, that is, formulas that are propositional letters or their iterated negations. We give a sound and complete axiomatization for the logic defined by the class of all these matrices, we give conditions for the maximality of these logics and we study in detail several relevant examples. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
4.
The exponential X-ray transform arises in single photon emission computed tomography and is defined on functions on ?n by , where μ is a constant. Approximate inversion, and inversion formulae of filtered back-projection type are derived for this operator in all dimensions. In particular, explicit formulae are given for convolution kernels (filters) K corresponding to a general point spread function E that can be used to invert the exponential X-ray transform via a filtered back-projection algorithm. The results extend and refine work of Tretiak and Metz17. 相似文献
5.
G. Carelli N. Ioli A. Moretti D. Pereira F. Strumia R. Densing 《Applied physics. B, Lasers and optics》1988,45(2):97-100
FIR laser lines close to the N+
3
P
2–3
P
1 transition at 122 m can be used as a local oscillator for heterodyne detectors. The frequencies of some candidate laser lines from CH2F2,13CH3OH, CD3OD, and CD3OH have been measured and the output power of the most interesting lines has been optimized. 相似文献
6.
Helmut Sprdizer Andrea Pichler Wolfgang Holzer Irene Toth Bettina Zuchart 《Helvetica chimica acta》1997,80(1):139-145
Khusimone (1), one of the main odor-donating compounds of vetiver oil is subject of the following study on structure/odor relationship. The omittance of the ethano bridge of the tricyclic khusimone leads to a bicyclic system. The stereoselective approach to this degraded structure is described, and the olfactory properties are studied. The key step of the synthesis of the hydrindane nucleus is based on a highly diastereoselective conjugate addition to a chiral oxo-cyclopentene-2-carboxylate. 相似文献
7.
Manuel Urbano Cuadrado Gonzalo Cerruela García Irene Luque Ruiz Miguel Ángel Gómez-Nieto 《Journal of mathematical chemistry》2006,40(1):15-27
A method for the treatment of long-dimensional chemical data arrays is presented in this work with the aim of maximising classification models. The method is based on the construction of fingerprints and the subsequent generation of a similarity matrix. The similarity calculation has been modified through a scaling process to take into account different significance shown by the variables. The method was applied to spectral measurements of wines and several aspects were studied, namely: threshold considered in the construction of fingerprints and patterns, weighting factor used for scaling, normalisation method, etc. The application of both Principal Components Analysis and Soft-Independent Modelling of Class Analogies to the similarity matrices gave better classifications of the information than those obtained using original data. 相似文献
8.
All-electron ab initio Hartree–Fock (HF ), valence configuration interaction (CI ), and multiconfiguration self-consistent-field (CASSCF ) calculations have been applied to investigate the electronic states of the CrC molecule. The molecule is predicted as having four low-lying electronic states, 3∑?, 5∑?, 7∑?, and 9∑?, separated by an energy gap of 0.55 eV from the next higher-lying state, 1∑?, which is followed by the states 5Π and 7Π. The four lowest-lying electronic states are due to the coupling of the angular momenta of the 6Sg Cr+ ion with those of the 4Su C? anion. The chemical bond in the 3∑? ground state can be viewed as a quadruple bond composed of two σ and two π bonds. One σ bond is due to the formation of a molecular orbital that is doubly occupied. The remaining bonds, i.e., one σ and two π bonds, arise from valence-bond couplings. The π bonds originate from the valence-bond couplings of the electrons in the C 2pπ orbitals with those in the Cr 3dπ orbitals. The σ bond originates from the valence-bond coupling of the C 2pσ electron with an electron in the Cr 4s, 4p hybrid that is polarized away from the C atom. 相似文献
9.
Irene Yarovsky Marie-Isabel Aguilar Milton T. W. Hearn 《Journal of chromatography. A》1994,660(1-2):75-84
The molecular dynamics method has been applied to investigate the conformations of n-butyl ligands immobilised onto an amorphous silica surface analogous to those utilised with silica-based RP-HPLC sorbents. Three systems were constructed which corresponded to ligand densities of 1.64, 2.67 and 3.69 μmol/m2. A number of parameters related to the structure of the sorbent materials were derived in order to characterise the molecular properties of each system. These parameters included the hydrocarbon layer thickness, the frequency of gauche conformations, the distance distribution for carbon atoms and the diffusion coefficients of individual atoms in the n-butyl ligands. From these properties, the positions of chains with respect to the surface as well as their mobility were estimated. It was found that at higher densities, the n-butyl chains are predominantly perpendicular to the surface while at low density they are highly tilted or lying almost parallel to the surface. The degree of ligand flexibility decreased with increasing surface density. Mobility of individual carbon atoms as well as chain disorder increased with distance from the surface for all ligand densities. The simulated properties of n-butyl chains immobilised to a silica surface correlated well with results obtained by Fourier transform IR and 13C-cross polarisation magic angle spinning NMR experimental methods and statistical predictions of the behaviour of immobilised chains. 相似文献
10.
Svetlana B. Lyubchik Irene I. Perepichka Olga L. Galushko Andrey I. Lyubchik Elena S. Lygina Isabel M. Fonseca 《Adsorption》2005,11(5-6):581-593
In order to understand the patterns of the adsorption equilibrium of Cr (III) on activated carbon, the adsorption process
was studied by two different ways: classical batch experiments on commercial Norit and Merck activated carbons and their oxidized
forms in a wide range of pHs; and extended time-based tests at the same pH values on the same adsorbents. This approach allowed
us to understand the role of texture, chemical carbon surface functionality and experimental conditions (initial pH of the
solution, contact time and adsorbate/adsorbent ratio) on the effectiveness of Cr (III) removal. The adsorption process of
Cr (III) at (24 ± 1∘C) on Merck and Norit activated carbons and their oxidized forms were studied at pH values between 1.5 and 5 (either adjusted
or buffered). Chromium concentration was fixed at 200 ppm. The carbon loading ranged from 1.2 to 20 g/l. The carbon/Cr (III)
solution contact time was varied from 0.5–1 month to 5 months, to ensure that the saturation of the carbon level was reached.
According to the data obtained, the presence of carboxylic groups on carbon surface seems to enhance Cr (III) uptake at initial
pH of the solution in the range between 2 and 4. Depending on the nature of the adsorbent surface chemistry, the contact time
to reach equilibrium may range from 3 to 5 months. There is an optimum carbon loading which limits the Cr (III) uptake/removal
at given pH value. In order to understand the adsorption process, an ion exchange, surface complex and surface precipitation
were considered.
This paper was presented in the 5th Brazilian Meeting on Adsorption, held at Natal, Brazil, 18-21 July, 2004. 相似文献