全文获取类型
收费全文 | 6066篇 |
免费 | 1016篇 |
国内免费 | 493篇 |
专业分类
化学 | 1660篇 |
晶体学 | 44篇 |
力学 | 222篇 |
综合类 | 61篇 |
数学 | 900篇 |
物理学 | 4688篇 |
出版年
2024年 | 13篇 |
2023年 | 70篇 |
2022年 | 148篇 |
2021年 | 142篇 |
2020年 | 199篇 |
2019年 | 169篇 |
2018年 | 177篇 |
2017年 | 181篇 |
2016年 | 240篇 |
2015年 | 182篇 |
2014年 | 239篇 |
2013年 | 417篇 |
2012年 | 286篇 |
2011年 | 370篇 |
2010年 | 306篇 |
2009年 | 399篇 |
2008年 | 434篇 |
2007年 | 456篇 |
2006年 | 388篇 |
2005年 | 309篇 |
2004年 | 282篇 |
2003年 | 320篇 |
2002年 | 291篇 |
2001年 | 230篇 |
2000年 | 228篇 |
1999年 | 172篇 |
1998年 | 158篇 |
1997年 | 101篇 |
1996年 | 60篇 |
1995年 | 74篇 |
1994年 | 52篇 |
1993年 | 56篇 |
1992年 | 50篇 |
1991年 | 37篇 |
1990年 | 39篇 |
1989年 | 33篇 |
1988年 | 24篇 |
1987年 | 27篇 |
1986年 | 31篇 |
1985年 | 24篇 |
1984年 | 25篇 |
1983年 | 7篇 |
1982年 | 11篇 |
1981年 | 21篇 |
1980年 | 18篇 |
1979年 | 14篇 |
1978年 | 14篇 |
1977年 | 14篇 |
1976年 | 13篇 |
1974年 | 8篇 |
排序方式: 共有7575条查询结果,搜索用时 15 毫秒
91.
Emission and absorption polarization spectra as well as emission lifetimes between room temperature and 5 °K have been measured of [Cr urea6]X3 single crystals, where X stands for ClO
4
–
, J–, NO
3
–
, Br–, Cl–, F–, and X3 for JSO
4
3–
. The strong temperature dependence of the fluorescence/phosphorescence-ratios, and of the emission lifetimes is discussed. The differences between the spectra as well as the emission lifetimes of the various salts can be attributed to an anion dependent trigonal perturbation.
Die Autoren danken dem Verband der Chemischen Industrie für finanzielle Unterstützung dieser Arbeit. 相似文献
92.
B. Saha T. K. Mukherjee A. K. Das P. K. Mukherjee 《International journal of quantum chemistry》2003,91(5):626-632
Dipole‐allowed transitions have been studied for the first few members of the Si isoelectronic sequence. Transition energies, oscillator strengths, transition probabilities and quantum defect values have been estimated for the low‐ and high‐lying excited states of s and d symmetries up to the principal quantum number n=7 for these 3p open shell ions from P+ to Cr10+. Time‐dependent coupled Hartree–Fock (TDCHF) theory has been utilized to calculate such transition properties. Most of the results for transition energies, oscillator strengths, and transition probabilities for higher excited states are new. The transition energies for low‐lying excited states agree well with experimental data wherever available. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001 相似文献
93.
We have calculated the positions of the avoided level crossings between (n+2)s, np states and nd, k Stark states in the Rydberg Stark states of the potassium atom with principal quantum number n comprised between 12 and 17. We have also studied the adiabatic electric field ionization thresholds for the above Rydberg
states. Both the ionization thresholds and the positions of avoided crossings have been calculated using the recently developed
Stark-adapted quantum defect orbital (SQDO) formalism. The presently reported values appear to be in very good agreement with
the available theoretical and experimental data. 相似文献
94.
The graphical unitary group approach has been applied in an efficient implementation of a general multireference configuration interaction (MRCI) method for use with small active molecular orbital spaces in a semiempirical framework. Gradients can be computed analytically for molecular orbitals from a closed-shell or a half-electron open-shell Hartree-Fock calculation. CPU times for single point energy and gradient calculations are reported. The code allows MRCI geometry optimizations of large molecules, as illustrated for the singlet ground state and the four lowest triplet states of fullerene C(76). 相似文献
95.
Craig C. Martens 《Journal of statistical physics》1992,68(1-2):207-237
We describe our work on qualitative methods for visualizing the quantum eigenstates of systems with nonlinear classical dynamics. For two-degree-of-freedom systems, our approach is based on the use of generalized coherent states, and allows systems with nonoscillator kinematics to be investigated. The general approach is illustrated with two examples involving vibration-rotation interaction in polyatomic molecules. We apply the coherent states of the Lie groupH
4SU(2) to define quantum surfaces of section for a model involving centrifugal coupling of a harmonic bend with molecular rotation, andSU(2)SU(2) coherent states to study two harmonic normal modes coupled to overall molecular rotation through coriolis interaction. In both systems, quantum states are visualized on the rotational surface of section and compared with the corresponding classical phase space structure. Striking classical-quantum correspondence is observed. We then describe recent results on the quantum states of (N 3)-dimensional systems of coupled nonlinear oscillators, which reveal a quantum delocalization that is reminiscent of classical Arnold diffusion. 相似文献
96.
Comparison of equilibrium and nonequilibrium models of a CSTR with total condenser focused on the multiple steady states and
dynamic behaviour was carried out. The steady-state behaviour of the model system, MTBE synthesis from methanol and isobutene
in a reactive distillation column, was studied in terms of the input parameters, i. e. feed flow rate of methanol or butenes, reflux ratio, and mass of catalyst. The dynamic behaviour of the system during the
start-up was investigated and perturbations of manipulated variables were found to cause transitions between the parallel
steady states.
Presented at the 33rd International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 22–26 May
2006. 相似文献
97.
A theoretical investigation of the gas-phase oxidation reaction of the saturated tert-butyl radical.
The radical-radical reaction mechanisms and dynamics of ground-state atomic oxygen [O(3P)] with the saturated tert-butyl radical (t-C4H9) are investigated using the density functional method and the complete basis set model. Two distinctive reaction pathways are predicted to be in competition: addition and abstraction. The barrierless addition of O(3P) to t-C4H9 leads to the formation of an energy-rich intermediate (OC4H9) on the lowest doublet potential energy surface, which undergoes subsequent direct elimination or isomerization-elimination leading to various products: C3H6O + CH3, iso-C4H8O + H, C3H7O + CH2, and iso-C4H8 + OH. The respective microscopic reaction processes examined with the aid of statistical calculations, predict that the major addition pathway is the formation of acetone (C3H6O) + CH3 through a low-barrier, single-step cleavage. For the direct, barrierless H-atom abstraction mechanism producing iso-C4H8 (isobutene) + OH, which was recently reported in gas-phase crossed-beam investigations, the reaction is described in terms of both an abstraction process (major) and a short-lived addition dynamic complex (minor). 相似文献
98.
Tullio Caronna Bruno M. Vittimberga Matthew E. Kornn W. Grant McGimpsey 《Journal of photochemistry and photobiology. A, Chemistry》1995,90(2-3):137-140
The photochemistry of a variety of dicyanopyridines (2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-dicyanopyridine) in solution at room temperature was investigated. Pulsed UV (308 nm) laser irradiation in deoxygenated acetonitrile yields the triplet state with lifetimes between 4 and 10 μs and absorption bands in the 400 and 320 nm regions. In the presence of added HCl an air-insensitive transient (τ ≈ 10–12 μs, λmax ≈ 360–380 nm) was observed, suggesting the formation of a protonated excited state.
Irradiation in the presence of amines resulted in the production of the pyridyl radical anion (τ ≈ 40–80 μs, air sensitive, λmax ≈ 360–380 nm) formed by electron transfer from the amine to the pyridine triplet excited state. Stern-Volmer analysis gave electron transfer rate constants in the range (1–8) × 10−8 M−1 s−1.
In methanol solvent, irradiation yielded an air-insensitive transient assigned as the neutral pyridyl radical (τ ≈ 30–200 μs, λmax ≈ 370–385 nm). The formation of these transients is discussed in the context of previous photochemical electron spin resonance and product studies. 相似文献
99.
A boundS
l is given for the number of bound statesn
i in thelth partial wave corresponding to a spherically symmetric potential in non-relativistic quantum mechanics. This bound is given
by
whereV
a(l, r) is the attractive part of the effective potentialV(r)+l(l+1)/r
2. Extensive comparative study ofS
i and the Bargmann inequality is made. 相似文献
100.
我们提出了一个在热腔中产生多原子GHZ态的方法来检验量子非定域性。在这个方法中,三个原子被同时送入一个热腔中,它们初始时处于相同的态。这个方法既对腔的衰减不敏感又对热场不敏感,这为检验量子力学的基本方面提供了新的前景。 相似文献