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1.
The influence of Free-Stream Turbulence (FST) on the space–time dynamics of a conical vortex developing along a A-pillar is studied experimentally. Measurements of unsteady wall pressure and velocity by High Speed-Stereo PIV highlight the important effects of turbulence on the mean and instantaneous properties of the vortex. Very significant increases in Reynolds stresses into the vortex region and in wall fluctuating pressure are observed in the presence of FST. In smooth flow, the frequency content of the pressure and velocity fields is very rich with low and high frequency contributions due to the meandering of the vortex and instabilities in the vortex core. Meandering shows, for the different integral length scales and intensities of turbulence tested, a great receptivity to the presence of a FST and we observe a global motion of the vortex structure at low frequency. This frequency is modulated by the value of the integral length scale of the FST. We show that the mean conical structure is a wave guide for the perturbations of the core but that, with FST, the spatio-temporal evolution of the envelope overwhelms the intrinsic instability of the vortex core observed in smooth flow.  相似文献   
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In this contribution, surface-enhanced Raman spectroscopy (SERS) based on conical holed glass substrates deposited with silver colloids was reported for the first time. It combines the advantages of both dry SERS assays based on plane films deposited with silver colloids and wet SERS assays utilizing cuvettes or capillary tubes. Compared with plane glass substrates deposited with silver colloids, the conical holed glass substrates deposited with silver colloids exhibited five-to ten-folds of increase in the rate of signal enhancement, due to the internal multiple reflections of both the excitation laser beam and the Raman scattering photons within conical holes. The application of conical holed glass substrates could also yield significantly stronger and more reproducible SERS signals than SERS assays utilizing capillary tubes to sample the mixture of silver colloids and the solution of the analyte of interest. The conical holed glass substrates in combination with the multiplicative effects model for surface-enhanced Raman spectroscopy (MEMSERS) achieved quite sensitive and precise quantification of 6-mercaptopurine in complex plasma samples with an average relative prediction error of about 4% and a limit of detection of about 0.02 μM using a portable i-Raman 785H spectrometer. It is reasonable to expect that SERS technique based on conical holed enhancing substrates in combination with MEMSERS model can be developed and extended to other application areas such as drug detection, environmental monitoring, and clinic analysis, etc.  相似文献   
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The photoisomerization of 1,2‐dihydro‐1,2‐azaborine was investigated by high‐level multireference ab initio and density functional theory calculations. The intermediates (IMs) and transition states (TSs) on the S0 and S1 states were optimized using the state‐averaged complete active space self‐consistent field method. The multireference configuration interaction method with the Davidson correction was used to obtain accurate energetics. Moreover, the conical intersections (CIs), which play a crucial role in photoisomerization, were also optimized. On the basis of the calculation results, the most favorable proposed reaction pathway is as follows: reactant→Franck‐Condon region→TS1→CI→IM0→TS0P→product. The product was not directly formed through the CI, and the IM0 existed on the S0 state. These results show that the isomerization of 1,2‐dihydro‐1,2‐azaborine involves both photoreactions and thermal reactions. The calculated results clarify recent experimental observations.  相似文献   
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The mechanism of aggregation-induced emission, which overcomes the common aggregation-caused quenching problem in organic optoelectronics, is revealed by monitoring the real time structural evolution and dynamics of electronic excited state with frequency and polarization resolved ultrafast UV/IR spectroscopy and theoretical calculations. The formation of Woodward–Hoffmann cyclic intermediates upon ultraviolet excitation is observed in dilute solutions of tetraphenylethylene and its derivatives but not in their respective solid. The ultrafast cyclization provides an efficient nonradiative relaxation pathway through crossing a conical intersection. Without such a reaction mechanism, the electronic excitation is preserved in the molecular solids and the molecule fluoresces efficiently, aided by the very slow intermolecular charge and energy transfers due to the well separated molecular packing arrangement. The mechanisms can be general for tuning the properties of chromophores in different phases for various important applications.  相似文献   
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提出了一种由锥形纤维阵列引导的定向液体输运的简单策略, 实现了对聚二芳基芴(PODPF)的有序 排列. 通过热退火处理(~240 ℃), PODPF由无定形相转变为β相态, 制备的PODPF薄膜具有一定的取向性 并且结晶尺寸更大. 在去浸润过程中, 锥形纤维阵列能够精确控制三相接触线的后退, 从而使得共轭高分子在产生的定向应力作用下定向排列. 基于此制备了聚合物发光二极管(PLEDs)器件, 与由旋涂膜制备的器件相比具有更高的电流效率(1.53 cd/A)和更稳定的电致发光. 表明利用锥形纤维阵列可以制备高性能的有机发光 二极管.  相似文献   
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武志超  梁柱 《光子学报》2014,39(7):1308-1311
根据晶体锥光效应提出一种光控制方法.在双轴晶体中光波沿光轴方向入射时,其传播方向随光偏振方向的不同而改变,通过控制磁光偏振调制器上磁场强度改变光的偏振方向,从而实现对激光束方向的控制.据此分析了双轴晶体锥光效应光盘寻迹的基本原理并设计出总体方案,数值模拟计算得到晶体入射光偏振角度与寻迹位移的关系,初步验证了此方案的合理性,该方案与传统机电跟踪寻迹方式相比具有结构轻巧,动态响应快等优点.同时,也为光开关、扫描等技术提供了一种新的思想和方法.  相似文献   
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Axel D. Becke 《Molecular physics》2015,113(13-14):1884-1889
The energy surfaces of the ground and low-lying excited states of ethylene are challenging tests of multi-reference electronic structure methods. A variety of multi-reference wavefunction theories have been applied to this problem and the ensuing photochemistry has been well studied. Density-functional methods, however, have been less successful. In this work, the ‘B13’ strong-correlation density functional is used to generate multi-reference orbitals for the computation of the three lowest-lying singlet states. We explore the states and energies as a function of torsion angle, and as a function of the pyramidalisation angle with respect to the twisted orthogonal structure. The former features an avoided crossing at the orthogonal structure; the latter a Cs slice through a conical intersection. Both features are well reproduced by our B13 method.  相似文献   
10.
Aggregation‐induced emission (AIE) is a phenomenon where non‐luminescent compounds in solution become strongly luminescent in aggregate and solid phase. It provides a fertile ground for luminescent applications that has rapidly developed in the last 15 years. In this review, we focus on the contributions of theory and computations to understanding the molecular mechanism behind it. Starting from initial models, such as restriction of intramolecular rotations (RIR), and the calculation of non‐radiative rates with Fermi's golden rule (FGR), we center on studies of the global excited‐state potential energy surfaces that have provided the basis for the restricted access to a conical intersection (RACI) model. In this model, which has been shown to apply for a diverse group of AIEgens, the lack of fluorescence in solution comes from radiationless decay at a CI in solution that is hindered in the aggregate state. We also highlight how intermolecular interactions modulate the photophysics in the aggregate phase, in terms of fluorescence quantum yield and emission color.  相似文献   
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