全文获取类型
收费全文 | 1511篇 |
免费 | 89篇 |
国内免费 | 180篇 |
专业分类
化学 | 861篇 |
晶体学 | 13篇 |
力学 | 65篇 |
数学 | 35篇 |
物理学 | 806篇 |
出版年
2024年 | 1篇 |
2023年 | 12篇 |
2022年 | 16篇 |
2021年 | 6篇 |
2020年 | 28篇 |
2019年 | 29篇 |
2018年 | 32篇 |
2017年 | 34篇 |
2016年 | 46篇 |
2015年 | 43篇 |
2014年 | 47篇 |
2013年 | 103篇 |
2012年 | 42篇 |
2011年 | 87篇 |
2010年 | 60篇 |
2009年 | 118篇 |
2008年 | 119篇 |
2007年 | 137篇 |
2006年 | 96篇 |
2005年 | 78篇 |
2004年 | 67篇 |
2003年 | 68篇 |
2002年 | 55篇 |
2001年 | 59篇 |
2000年 | 94篇 |
1999年 | 54篇 |
1998年 | 51篇 |
1997年 | 38篇 |
1996年 | 36篇 |
1995年 | 18篇 |
1994年 | 15篇 |
1993年 | 13篇 |
1992年 | 18篇 |
1991年 | 8篇 |
1990年 | 8篇 |
1989年 | 3篇 |
1988年 | 4篇 |
1987年 | 4篇 |
1985年 | 2篇 |
1984年 | 6篇 |
1983年 | 1篇 |
1982年 | 2篇 |
1981年 | 5篇 |
1980年 | 6篇 |
1979年 | 4篇 |
1977年 | 4篇 |
1974年 | 1篇 |
1972年 | 1篇 |
1971年 | 1篇 |
排序方式: 共有1780条查询结果,搜索用时 46 毫秒
1.
2.
3.
Modeling and numerical simulations of the convective flows induced by the vibration of the monocrystal during crystal growth have been performed for two configurations simulating the Cz and FZ methods. This permitted to emphasize the role of different vibrational mechanisms in the formation of the average flows. It is shown that an appropriate combination of these mechanisms can be used to counteract the usual convective flows (buoyancy- and/or thermocapillary-driven) inherent to crystal growth processes from the liquid phase. While vibrational convection is rather complex due to these identified mechanisms, the new modeling used in the present paper opens up very promising perspectives to efficiently control heat and mass transfer during real industrial applications of crystal growth from the liquid phase. 相似文献
4.
I. Antoniou M. Gadella J. Mateo G.P. Pronko 《International Journal of Theoretical Physics》2003,42(10):2389-2402
Through two examples: the Friedrichs model and a particular case of central potential scattering, we illustrate the way of constructing Gamow vectors. 相似文献
5.
Arthur G. Maki John C. Grecu Brenda Winnewisser Manfred Winnewisser 《Journal of Molecular Spectroscopy》2003,222(2):198-212
High-resolution spectra of 15N12C12C15N and 14N13C13C14N have been measured and analyzed from 200 to 3600 cm−1. All the vibrational levels below 900 cm−1 have been observed and characterized. The Fermi resonance between ν2 and 2ν4 has been studied and the resonance constant has been determined for several cases. Several Σ− states have been directly observed for the first time for each isotopomer, the (0001111)0f, (0011111)0f, and (0002222)0f states. The pattern of the energy levels for clusters of l-type resonance coupled levels, such as 0001131,3, has been determined for cyanogen for the first time. Among other things this involved the determination of the vibrational l-type resonance constant, r45. Many of the power series constants, αi and xij, and higher order constants have been determined. 相似文献
6.
An FT-IR study of pyrrole self-association in CCl4 solutions was carried out. According to the IR measurements, pyrrole forms self-associated dimeric species via N-H?π hydrogen bonding. This was also confirmed by quantum chemical calculations for pyrrole monomer and dimer at B3LYP/6-31++G(d,p) level of theory. A T-shaped minimum was located on B3LYP/6-31++G(d,p) PES of pyrrole dimer characterized with a hydrogen bond of an N-H?π type, with centers-of-mass separation of monomeric units of 4.520 Å, H?π distance of 2.475 Å, the interplanar angle between the two monomeric units being 72.9°. The anharmonic vibrational frequency shift upon dimer formation calculated on the basis of 1D DFT vibrational potentials is in excellent agreement with the experimental data (84 vs. 87 cm−1). Harmonic vibrational analysis predicts somewhat smaller shift (68 cm−1). On the basis of NIR spectroscopic data, anharmonicity constants for the 2ν(N-H) and 2ν(N-H?π) vibrational transitions were calculated. The orientational dynamics of monomeric and self-associated pyrrole species was studied within the framework of the transition dipole moment time correlation function formalism. The period of essentially free rotation in the condensed phase reduces from 0.05 ps for the monomeric pyrrole to 0.02 ps for the proton-donor molecule within the dimer. 相似文献
7.
Marco Merkli 《Journal of Mathematical Analysis and Applications》2007,327(1):376-399
Level shift operators describe the second-order displacement of eigenvalues under perturbation. They play a central role in resonance theory and ergodic theory of open quantum systems at positive temperatures. We exhibit intrinsic properties of level shift operators, properties which stem from the structure of open quantum systems at positive temperatures and which are common to all such systems. They determine the geometry of resonances bifurcating from eigenvalues of positive temperature Hamiltonians and they relate the Gibbs state, the kernel of level shift operators, and zero energy resonances. We show that degeneracy of energy levels of the small part of the open quantum system causes the Fermi Golden Rule Condition to be violated and we analyze ergodic properties of such systems. 相似文献
8.
Orotic acid (vitamin B13) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions. cis-Diammine(orotato)platinum(II), cis-[Pt(C5H2N2O4)(NH3)2] can be considered as a new potential cisplatin analogue. The FT-Raman and FT-IR spectra of the title complex are reported, for the first time. The molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method. The detailed vibrational assignment has been made on the basis of the calculated potential energy distribution. The theoretically predicted IR and Raman spectra show very good agreement with experiment. Natural bond orbital (NBO) analyses were performed for cisplatin, carboplatin and the title complex. The results provided new data on the nature of platinum–ligand bonding in these compounds. Strong intramolecular hydrogen bond between the orotate ligand and the coordinated ammonia group stabilizes the structure of the platinum(II) complex. Thus, it is suggested that the orotate ligand in the title complex is more inert to the substitution reactions than the chloride ligands in cisplatin. 相似文献
9.
David Loffreda 《Surface science》2006,600(10):2103-2112
Adsorption thermodynamics based on density functional theory (DFT) calculations are exposed for the interaction of several multifunctional molecules with Pt and Au(1 1 0)-(1 × 2) surfaces. The Gibbs free adsorption energy explicitly depends on the adsorption internal energy, which is derived from DFT adsorption energy, and the vibrational entropy change during the chemisorption process. Zero-point energy (ZPE) corrections have been systematically applied to the adsorption energy. Moreover the vibrational entropy change has been computed on the basis of DFT harmonic frequencies (gas and adsorbed phases, clean surfaces), which have been extended to all the adsorbate vibrations and the metallic surface phonons. The phase diagrams plotted in realistic conditions of temperature (from 100 to 400 K) and pressure (0.15 atm) show that the ZPE corrected adsorption energy is the main contribution. When strong chemisorption is considered on the Pt surface, the multifunctional molecules are adsorbed on the surface in the considered temperature range. In contrast for weak chemisorption on the Au surface, the thermodynamic results should be held cautiously. The systematic errors of the model (choice of the functional, configurational entropy and vibrational entropy) make difficult the prediction of the adsorption-desorption phase boundaries. 相似文献
10.
《The European Physical Journal A - Hadrons and Nuclei》2003,17(2):241-244
The helicity dependence of the γ
p↦pη reaction has been measured for the first time at a center-of-mass angle θ*
η = 70° in the photon energy range from 780 MeV to 790 MeV. The experiment, performed at the Mainz microtron MAMI, used a 4π-detector
system, a circularly polarized, tagged photon beam, and a longitudinally polarized frozen-spin target. The helicity 3/2 cross-section
is found to be small and the results for helicity 1/2 agree with predictions from the MAID analysis.
Received: 19 December 2002 / Accepted: 10 March 2003 / Published online: 20 May 2003 相似文献