全文获取类型
收费全文 | 5077篇 |
免费 | 922篇 |
国内免费 | 516篇 |
专业分类
化学 | 1814篇 |
晶体学 | 26篇 |
力学 | 65篇 |
综合类 | 22篇 |
数学 | 302篇 |
物理学 | 4286篇 |
出版年
2024年 | 7篇 |
2023年 | 55篇 |
2022年 | 69篇 |
2021年 | 117篇 |
2020年 | 184篇 |
2019年 | 136篇 |
2018年 | 141篇 |
2017年 | 131篇 |
2016年 | 206篇 |
2015年 | 174篇 |
2014年 | 197篇 |
2013年 | 340篇 |
2012年 | 252篇 |
2011年 | 314篇 |
2010年 | 254篇 |
2009年 | 337篇 |
2008年 | 378篇 |
2007年 | 413篇 |
2006年 | 338篇 |
2005年 | 272篇 |
2004年 | 239篇 |
2003年 | 286篇 |
2002年 | 256篇 |
2001年 | 195篇 |
2000年 | 205篇 |
1999年 | 143篇 |
1998年 | 131篇 |
1997年 | 93篇 |
1996年 | 71篇 |
1995年 | 61篇 |
1994年 | 55篇 |
1993年 | 51篇 |
1992年 | 46篇 |
1991年 | 28篇 |
1990年 | 38篇 |
1989年 | 34篇 |
1988年 | 24篇 |
1987年 | 24篇 |
1986年 | 32篇 |
1985年 | 26篇 |
1984年 | 23篇 |
1983年 | 7篇 |
1982年 | 12篇 |
1981年 | 22篇 |
1980年 | 19篇 |
1979年 | 15篇 |
1978年 | 13篇 |
1977年 | 14篇 |
1976年 | 12篇 |
1974年 | 8篇 |
排序方式: 共有6515条查询结果,搜索用时 31 毫秒
1.
Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand 下载免费PDF全文
Zhengran Wang 《中国物理 B》2022,31(4):48202-048202
Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH2) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S0 and S1 states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH2 can undergo the ESDPT process in the S1 state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules. 相似文献
2.
Motoko S. Asano Sho Hashimoto Takuya Shinozuka Yasutaka Fushimi 《Molecular physics》2019,117(19):2664-2672
ABSTRACTInteraction between a zinc porphyrin (ZnPor) as the end-group and poly(9,9-di-n-octylfluorene-2,7-vinylene) (PFV) as the main chain in a porphyrin end-modified fluorescent conjugated polymer, ZnPFV, was studied by time-resolved electron paramagnetic resonance (EPR) and fluorescence spectroscopy. While fluorescence from the PFV part of ZnPFV showed a spectral profile almost identical to that of a PFV oligomer without end-modification, the emission spectrum of the ZnPor part exhibited a much broader profile compared to that of the reference zinc porphyrin monomer. Based on the analysis of lifetimes and quantum yields, it was found that radiative rate constant of the ZnPor part was enhanced by nearly three times. The observed unusual enhancement in the radiative rate constant was rationalised in terms of a partial π-conjugation between the end group and the main chain, as a result of co-planarisation in fluid solution. On the other hand, the time-resolved EPR spectrum of ZnPFV at 100?K basically showed a similar spectral pattern to that of the reference zinc porphyrin, but with significant differences in zero-field spitting parameters and initial population ratios. The π-system of the excited triplet state is deduced to deviate from D4h symmetry in the end zinc porphyrin groups. The obtained results show that interaction of the porphyrin end group with the main chain of the polymer significantly influences the excited singlet state properties of the porphyrin, while its triplet state properties were affected to a lesser extent. 相似文献
3.
4.
We study ground states of two-component Bose–Einstein condensates (BEC) with trapping potentials in , where the intraspecies interaction and the interspecies interaction ?β are both attractive, , , and β are all positive. The existence and non-existence of ground states are classified completely by investigating equivalently the associated -critical constraint variational problem. The uniqueness and symmetry-breaking of ground states are also analyzed under different types of trapping potentials as , where () is fixed and w is the unique positive solution of in . The semi-trivial limit behavior of ground states is tackled in the companion paper [12]. 相似文献
5.
A method to generate NOON states with three photons by injecting photons in an array of three waveguides is presented. Conditional measurements project the wave function in a given (desired) state. In passing, it is shown how the array of three waveguides, that effectively reproduces the interaction of three fields, may be reduced to the interaction of two fields. 相似文献
6.
7.
Wave packet dynamics of nonlinear Gazeau–Klauder coherent states of a position-dependent mass system in a Coulomb-like potential 下载免费PDF全文
Faustin Blaise Migueu Mercel Vubangsi Martin Tchoffo and Lukong Cornelius Fai 《中国物理 B》2021,30(6):60309-060309
AD = 1 position-dependent mass approach to constructing nonlinear quantum states for a modified Coulomb potential is used to generate Gazeau–Klauder coherent states. It appears that their energy eigenvalues are scaled down by the quantum number and the nonlinearity coefficient. We study the basic properties of these states, which are found to be undefined on the whole complex plane, and some details of their revival structure are discussed. 相似文献
8.
A. Bande 《Molecular physics》2019,117(15-16):2014-2028
ABSTRACTRecently, highly accurate multi-configuration time-dependent Hartree electron dynamics calculations demonstrated the efficient long-range energy transfer inter-Coulombic decay (ICD) process to happen in charged semiconductor quantum dot (QD) pairs. ICD is initiated by intraband photoexcitation of one of the QDs and leads to electron emission from the other within a duration of about 150 ps. On the same time scale electronically excited states are reported to relax due to the coupling of electrons to acoustic phonons. Likewise, phonons promote ionisation. Here, the QDs' acoustic breathing mode is implemented in a frozen-phonon approach. A detailed comparison of the phonon effects on electron relaxation and emission as well as on the full ICD process is presented, which supports the previous empirical finding of ICD being the dominant decay channel in paired QDs. In addition the relative importance of phonon–phonon, phonon–electron and electron–electron interaction is analysed. 相似文献
9.
Chikashi Shinagawa Yusuke Morikawa Shin-ichi Nishimura Hiroshi Ushiyama Atsuo Yamada Koichi Yamashita 《Journal of computational chemistry》2019,40(1):237-246
Na2FePO4F is a promising cathode material for a Na-ion battery because of its high electronic capacity and good cycle performance. In this work, first principle calculations combined with cluster expansion and the Monte Carlo method have been applied to analyze the charge and discharge processes of Na2FePO4F by examining the voltage curve and the phase diagram. As a result of the density functional theory calculation and experimental verification with structural analysis, we found that the most stable structure of Na1.5FePO4F has the P21/b11 space group, which has not been reported to date. The estimated voltage curve has two clear plateaus caused by the two-phase structure composed of P21/b11 Na1.5FePO4F and Pbcn Na2FePO4F or Na1FePO4F and separated along the c-axis direction. The phase diagram shows the stability of the phase-separated structure. Considering that Na2FePO4F has diffusion paths in the a- and c-axis directions, Na2FePO4F has both innerphase and interphase diffusion paths. We suggest that the stable two-phase structure and the diffusion paths to both the innerphase and interphases are a key for the very clear plateau. We challenge to simulate a nonequilibrium state at high rate discharge with high temperature by introducing a coordinate-dependent chemical potential. The simulation shows agreement with the experimental discharge curve on the disappearance of the two plateaus. © 2018 Wiley Periodicals, Inc. 相似文献
10.