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排序方式: 共有88条查询结果,搜索用时 15 毫秒
1.
Kenkera Rayappa Naveen Dr. Keshavananda Prabhu CP Dr. Ramanaskanda Braveenth Prof. Jang Hyuk Kwon 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(12):e202103532
Pure organic molecules based thermally activated delayed fluorescence (TADF) emitters have been successfully developed in recent years for their propitious application in highly efficient organic light emitting diodes (OLEDs). In the case of orange red emitters, the non-radiative process is known to be a serious issue due to its lower lying singlet energy level. However, recent studies indicate that there are tremendous efforts put to develop efficient orange red TADF emitters. In addition, the external quantum efficiency (EQE) of heteroaromatic based orange red TADF OLEDs surpassed 30 %. Such heteroaromatic type emitters showed wide emission spectra; therefore, more attention is being paid to develop highly efficient orange red TADF emitters along with good color purity. Herein, the recent progress of orange red TADF emitters based on molecular structures, such as cyanobenzene, heteroaromatic, naphthalimide, and boron-based acceptors, are reviewed. Further, our insight on these acceptors has been provided by their photophysical studies and device performances. Future perspectives of orange red TADF emitters for real practical applications are discussed. 相似文献
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3.
Ridley CP Bergquist PR Harper MK Faulkner DJ Hooper JN Haygood MG 《Chemistry & biology》2005,12(3):397-406
Four species of marine sponges (Phylum Porifera, Order Dictyoceratida), which contain the filamentous cyanobacterial symbiont Oscillatoria spongeliae, were collected from four locations in Palau. The halogenated natural products associated with the symbiont were characterized from each sample, revealing that each species contained either chlorinated peptides, brominated diphenyl ethers, or no halogenated compounds. Analysis of the host sponges and the symbionts indicated that each species of sponge contained a distinct strain of morphologically similar cyanobacteria. Although cospeciation may be present in this group, we have identified that at least one host switching event has occurred in this symbiosis. Only the strain of O. spongeliae in the sponge containing the chlorinated compounds possessed genes involved in the biosynthesis of chlorinated leucine precursors, indicating that the chemical variation observed in these animals has a genetic foundation. 相似文献
4.
In the 1B2u-1Ag system of naphthalene in a supersonic jet, rotational contour calculations show rotational temperatures of 2–60 K for argon carrier gas pressures of 1520-120 Torr. The b1u vibration v24 shows a high vibrational temperature which corresponds to the seeding temperature for pressures <400 Torr. 相似文献
5.
Zhang Z Fenter P Cheng L Sturchio NC Bedzyk MJ Predota M Bandura A Kubicki JD Lvov SN Cummings PT Chialvo AA Ridley MK Bénézeth P Anovitz L Palmer DA Machesky ML Wesolowski DJ 《Langmuir : the ACS journal of surfaces and colloids》2004,20(12):4954-4969
A comprehensive picture of the interface between aqueous solutions and the (110) surface of rutile (alpha-TiO2) is being developed by combining molecular-scale and macroscopic approaches, including experimental measurements, quantum calculations, molecular simulations, and Gouy-Chapman-Stern models. In situ X-ray reflectivity and X-ray standing-wave measurements are used to define the atomic arrangement of adsorbed ions, the coordination of interfacial water molecules, and substrate surface termination and structure. Ab initio calculations and molecular dynamics simulations, validated through direct comparison with the X-ray results, are used to predict ion distributions not measured experimentally. Potentiometric titration and ion adsorption results for rutile powders having predominant (110) surface expression provide macroscopic constraints of electrical double layer (EDL) properties (e.g., proton release) which are evaluated by comparison with a three-layer EDL model including surface oxygen proton affinities calculated using ab initio bond lengths and partial charges. These results allow a direct correlation of the three-dimensional, crystallographically controlled arrangements of various species (H2O, Na+, Rb+, Ca2+, Sr2+, Zn2+, Y3+, Nd3+) with macroscopic observables (H+ release, metal uptake, zeta potential) and thermodynamic/electrostatic constraints. All cations are found to be adsorbed as "inner sphere" species bonded directly to surface oxygen atoms, while the specific binding geometries and reaction stoichiometries are dependent on ionic radius. Ternary surface complexes of sorbed cations with electrolyte anions are not observed. Finally, surface oxygen proton affinities computed using the MUSIC model are improved by incorporation of ab initio bond lengths and hydrogen bonding information derived from MD simulations. This multitechnique and multiscale approach demonstrates the compatibility of bond-valence models of surface oxygen proton affinities and Stern-based models of the EDL structure, with the actual molecular interfacial distributions observed experimentally, revealing new insight into EDL properties including specific binding sites and hydration states of sorbed ions, interfacial solvent properties (structure, diffusivity, dielectric constant), surface protonation and hydrolysis, and the effect of solution ionic strength. 相似文献
6.
Among the group-III nitrides, InN displays markedly unusual electronic transport characteristics due to its smaller effective mass, high peak velocity and high background electron concentration. First, a non-local empirical pseudopotential band structure of InN is obtained in the light of recent experimental and first-principles results. This is utilized within an ensemble Monte Carlo framework to illuminate the interesting transport properties. It is observed that InN has a peak velocity which is about 75% higher than that of GaN while at higher fields its saturation velocity is lower than that of GaN. Because of the strongly degenerate regime brought about by the high background electron concentration, the electron–electron interaction is also investigated, but its effect on the steady-state and transient velocity–field characteristics is shown to be negligible. Finally, hot phonon generation due to excessive polar optical phonon production in the electron scattering and relaxation processes is accounted for. The main findings are the appreciable reduction in the saturation drift velocity and the slower recovery from the velocity overshoot regime. The time evolution of the hot phonon distribution is analysed in detail and it is observed to be extremely anisotropic, predominantly along the electric force direction. 相似文献
7.
在前文工作的基础上,结合MNDO/EHMO分子轨道方法和自然杂化轨道方法,具体计算了CC键和CP键的核自旋偶合常数.计算结果表明,1JCC和1JCP主要由成键原子的轨道杂化作用和键极性这两种结构因素所决定.为从简单价键理论角度解释和计算1JCC和1JCP值提供了简便直观的方法. 相似文献
8.
Selection rules for the involvement of phonons of the host crystal in multiphonon transitions associated with substitutional impurities having either a |s> or |p> localized state are derived. It is shown that for P1 → P1 transitions only LA and LO phonons are important, and also that a P4 localized state couples with all phonons. The latter, plus the lack of a selection bar, suggests that such impurity states are more strongly coupled to the lattice that P1 states. 相似文献
9.
The system of 1,3-difluorobenzene has been observed using the technique of two-photon fluorescence excitation obtained with a pulsed dye laser. Calibration was achieved by a combination of the neon optogalvanic spectrum and etalon fringes. In circular, compared to linear, polarization the bands divide into two groups, those which are B2-A1 and which retain their intensity with circular polarization, and those which are A1-A1 and lose about 60% of their intensity under the same conditions. These two kinds of bands also show characteristic rotational contours. All of the A1-A1 bands whose assignments are established obtain their intensity through vibronic interaction in which the vibration ν′25 (ν′14 in the Wilson numbering) mixes the with, presumably, the state. There is an important Fermi resonance between the 91 and 101111 levels. Parts of the one-photon absorption spectrum have been photographed to identify sequences associated with the 000 band for comparison with those observed in the two-photon spectrum, and to search for bands involving odd quanta of b2 vibrations, including ν′25 (ν′14); none was found. 相似文献
10.
H.H. Chang B.W. Ridley T.H. Braid T.W. Conlon E.F. Gibson N.S.P. King 《Nuclear Physics A》1978,297(1):105-124
The differential cross sections for the elastic scattering of 3He ions on targets of 40Ca and 58Ni have been measured at incident energies of 27.7, 51.4, 73.2 and 83.5 MeV. The results of optical model analyses showed that only one unique potential (JR ≈ 330 MeV · fm3) with a surface absorptive term can provide acceptable fits to the large angle elastic scattering cross sections at 83.5 MeV. The particular geometrical set found at 83.5 MeV could not, however, give an adequate fit to the data with energy less than 40 MeV. Subsequent analyses indicated that a break in the energy dependence of the real potential is observed for the low energy data. Explicit energy dependent terms were obtained by fitting all the data simultaneously. These phenomenological potentials were also compared with the folded nucleon-nucleus potential. The influence of the α-particle channels on the elastic scattering of 3He ions at 83.5 MeV was also examined. 相似文献