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31.
We present a theory based on an exact calculation of the radiation forces on a microsized particle illuminated by evanescent waves created under total internal reflection in a flat substrate. The influence of the proximity of this interface to the particle is analyzed by a numerical simulation that addresses multiple scattering of light between the particle and the dielectric flat surface. We thus give an interpretation of the experimental results of Kawata and Sugiura [Opt. Lett. 17, 772 (1992)] and put forward a method that is capable of predicting new effects. 相似文献
32.
J.D. Petke Gerald M. Maggiora Lester L. Shipman Ralph E. Christoffersen 《Journal of Molecular Spectroscopy》1978,73(2):311-331
Ab initio configuration interaction wavefunctions and energies are reported for the ground state and many low-lying singlet and triplet states of magnesium chlorin and chlorin, and are employed in an analysis of the electronic absorption spectra of these systems.In chlorin, the calculated visible spectrum consists of two states, the lower energy, y-polarized state exhibiting moderate absorption intensity in contrast to the very weak absorption of the higher energy x-polarized state. The configurational composition of both states is well described by the four-orbital model. Five states are responsible for the Soret band envelope. A moderately intense y-state lies under the low energy edge of the band envelope, while two x-polarized states of moderate and strong intensity, respectively, are responsible for the band maximum. The final two states lie at the high energy edge of the Soret band and introduce a measure of asymmetry into the band envelope. Two states of very weak oscillator strength are also found in this region of the spectrum. All the Soret states are of complex configurational composition, and several of the higher lying states contain contributions from doubly excited configurations.The calculated visible spectrum of magnesium chlorin also consists of two states, with the weakly absorbing x-polarized state lying approximately 200 cm?1 lower in energy than the moderately intense y-polarized state. The configurational composition of both states is well described by the four-orbital model. Four states constitute the bulk of the intensity in the Soret band envelope. In distinction to chlorin, the moderately intense state at the low energy edge of the band envelope is x-polarized. Two intense states of y- and x-polarization, respectively, constitute the band maximum region, and a single x-polarized state of moderately strong intensity can be assigned to the high energy shoulder of the band envelope. Two other weakly absorbing states are also found in this region, along with another weakly absorbing state of mixed in-plane and out-of-plane polarization. No clearly defined states are observed. As was the case for chlorin, all the Soret states are of complex configurational composition, and some of the higher energy states contain significant contributions from doubly excited configurations.Chlorin and magnesium chlorin both possess three states which lie below S1 and a single which lies slightly above S2. All four of the low-lying states in each molecule are well described by the four-orbital model, with T1 being essentially a single configuration in each case. The remainder of the states are clustered in the same energetic region as the comparable Soret states, with comparably complex configurational compositions.Dipole moments and charge distributions for low-lying singlet and triplet states are also reported, and are used to rationalize chemical reactivity characteristics. 相似文献
33.
Optical and resonance Raman spectra of the reaction products of Mg, Ca, Sr, and Ba with ozone were observed in argon and nitrogen matrices. The visible spectra were characterized by strong, vibronically structured absorptions between 540 and 350 nm, and are assigned to the alkaline earth metal ozonides, . Vibrational analysis yielded ω1′ and ω1x1 values of about 900 and 6 cm?1, respectively, with only slight variation from metal to metal. Resonance Raman spectra consisted of a strong fundamental near 1020 cm?1 and two overtones with decreasing intensity. Oxygen-18 substitution confirmed the vibrational assignments, which agree very well with the alkali metal ozonide spectra. These results suggest that the +1 oxidation state plays an important role in the chemistry of the alkaline earth metals under conditions where aggregation does not occur to favor the +2 state. A thorough search was made for absorptions due to the alkaline earth oxide species, but no bands were observed. 相似文献
34.
35.
Matrix reactions of Mg, Zn and Cd atoms and NO2 have been performed. Infrared absorptions in the 1220 cm?1 range show isotopic shifts appropriate for M+NO2? species. Bands near 950 cm?1 in the zinc experiments are attributed to a different ion-pair structural isomer. 相似文献
36.
37.
Photolysis of N-acyl derivatives of 2-thionothiazolidine in the presence of ethanol affords ethyl esters; a mechanism involving γ-hydrogen abstraction by sulfur is postulated. 相似文献
38.
James Hansen Lester E. Heitger Lynn McKell 《The Journal of the Operational Research Society》1978,29(8):789-802
Information systems have become increasingly complex over recent years, underscoring the challenge of designing systems which will provide the different functions in an organization with the information necessary for effective decision-making. With rapidly developing computer technology, it is natural that information systems evolve in a manner which is greatly dependent on computing hardware and software. Yet, there has been little development in the techniques of systems analysis and design to handle new and less well-understood functions which are of increasing interest.This paper demonstrates an application of structural modelling concepts to decision-support system synthesis. With the aid of the computer, structural modelling serves as an effective tool for: (1) partitioning a system into a set of subsystems; (2) specifying subsystems sufficiently to permit separate testing before total system tests; (3) eliminating redundant control information flow; and (4) facilitating decision-maker and system-analyst coordination and participation in the design process. 相似文献
39.
Aharon Loewenschuss John C. Miller Lester Andrews 《Journal of Molecular Spectroscopy》1980,80(2):351-362
Absorption spectra of ClO, BrO, and IO and the emission spectrum of IO have been observed from argon matrix samples prepared by microwave discharging the reagent mixture before condensation. Vibronic progressions were observed for each system. The spectroscopic scopic constants Te, ω′e, ωex′e, ω″e, and ωex″e were evaluated from the absorption and emission data for comparison with gas-phase constants. Very good agreement is found for ClO. The argon matrix observations dictate a revision of the gas-phase vibronic assignments for BrO. The ground-state vibrational fundamental and Te for argon matrix isolated IO are similar to the gas-phase values, but a lower excited-state spacing is found in the matrix. 相似文献
40.