全文获取类型
收费全文 | 2123篇 |
免费 | 420篇 |
国内免费 | 526篇 |
学科分类
数理化 | 3069篇 |
出版年
2024年 | 7篇 |
2023年 | 18篇 |
2022年 | 74篇 |
2021年 | 93篇 |
2020年 | 82篇 |
2019年 | 82篇 |
2018年 | 61篇 |
2017年 | 74篇 |
2016年 | 71篇 |
2015年 | 140篇 |
2014年 | 129篇 |
2013年 | 185篇 |
2012年 | 162篇 |
2011年 | 183篇 |
2010年 | 168篇 |
2009年 | 179篇 |
2008年 | 152篇 |
2007年 | 199篇 |
2006年 | 135篇 |
2005年 | 145篇 |
2004年 | 146篇 |
2003年 | 122篇 |
2002年 | 83篇 |
2001年 | 47篇 |
2000年 | 52篇 |
1999年 | 45篇 |
1998年 | 41篇 |
1997年 | 20篇 |
1996年 | 33篇 |
1995年 | 20篇 |
1994年 | 19篇 |
1993年 | 14篇 |
1992年 | 16篇 |
1991年 | 8篇 |
1990年 | 9篇 |
1989年 | 6篇 |
1988年 | 3篇 |
1987年 | 4篇 |
1986年 | 6篇 |
1985年 | 3篇 |
1982年 | 2篇 |
1981年 | 4篇 |
1980年 | 7篇 |
1979年 | 5篇 |
1978年 | 4篇 |
1977年 | 3篇 |
1976年 | 2篇 |
1974年 | 2篇 |
1973年 | 1篇 |
1969年 | 1篇 |
排序方式: 共有3069条查询结果,搜索用时 0 毫秒
1.
The paper discusses the applicability of quasi-crystalline approximation to describing the thermal motion of water molecules in their normal and supercooled states. The problem is subjected to the critical analysis of experimental data on incoherent scattering of slow neutrons based on theories developed by Singwi-Sjolander [1] and Oskotsky [2] modified to duly take into account the limited applicability range of diffusion approximation. The applicability conditions of quasi-crystalline approximation are shown to be consistently satisfied only when water is in supercooled state and within a narrow temperature range above the melting temperature. 相似文献
2.
3.
For the NO molecule, modelled as a Morse oscillator, time-dependent (TD) nuclear Schr?dinger equation has been numerically
solved for the multiphoton vibrational dynamics of the molecule under a far-infrared laser of wavelength 10503 nm, and four
different intensities,I = 1 × 108, 1 × 1013, 5 × 1016, and 5 × 1018 W cm−2 respectively. Starting from the vibrational ground state at zero time, various TD quantities such as the norm, dissociation
probability, potential energy curve and dipole moment are examined. Rich high-harmonics generation (HHG) spectra and above-threshold
dissociation (ATD) spectra, due to the multiphoton interaction of vibrational motions with the laser field, and consequent
elevation to the vibrational continuum, have been obtained and analysed.
Dedicated to Professor C N R Rao on his 70th birthday
An erratum to this article is available at . 相似文献
4.
HarmonicAnalysisontheCompactHomogeneousSpaces──aboutFourierMultiplierofH~P(M)Space¥DongDaozhen;ZhengXuean(HenanUniversity,Kai?.. 相似文献
5.
Koichi Itoh Takeji Takui 《Proceedings of the Japan Academy. Series B, Physical and biological sciences》2004,80(2):29
This review paper deals with an overview of molecule-based magnetism as a rapidly developing interdisciplinary field, topological symmetry rule as the first principle of spin alignment in organic open-shell systems in the ground state, the proposal of organic through-bond 1D and 2D ferro- and superparamagnets and the detection of the first organic high-spin molecule, m-phenylenebis(phenylmethylene) in the quintet ground state (S = 2), followed by extended organic high-spin systems with π-conjugation such as aromatic hydrocarbons having S = 3, 4, 5. The paper also describes a theoretical approach to the understanding of electronic spin structures of organic high-spin molecules by invoking both Heisenberg and Hubbard model Hamiltonians, weakly interacting intramolecular high-spin systems from both experimental and theoretical sides, the spin density distribution of the first organic high-spin molecule in terms of electron- nuclear multiple resonance spectroscopy and the detection and characterization of ionic high-spin hydrocarbons, emphasizing the establishment of high spin chemistry underlying organic molecular magnetism. 相似文献
6.
本文对所合成的具有 [(PO4 ) 2 Mo5O1 5]簇骼的 3种新颖的有机 磷钼酸盐簇合物(NH3CH2 CH2 NH3) 2 5[(PO4 ) (HPO4 )Mo5O1 5]·7 5H2 O (Ⅰ ) ,(H3NCH2 CH2 NH3) 3·[(PO4 ) 2 Mo5O1 5]·3H2 O (Ⅱ )和(H3NCH2 CH2 NH3) 2 ·[Cu(en) ][(PO4 ) 2 Mo5O1 5]·5H2 O (Ⅲ )用FTIR ,NIR Raman ,紫外 可见漫反射光谱 (UV VisDRS)和荧光光谱等研究手段 ,对其进行光谱研究 ,探讨其结构和性能的关系。在这些化合物中 ,化合物Ⅰ和Ⅱ具有孤立的 [(PO4 ) 2 Mo5O1 5]簇骼基元 ,而化合物Ⅲ的 [(PO4 ) 2 Mo5O1 5]簇骼基元是由 [Cuen]基团桥联成链 ;磷钼酸盐的特征振动频率和这些化合物的结构相关 ;UV VisDRS显示 ,在 2 0 0和 2 6 0nm左右有两个杂多化合物的特征吸收谱带 ;化合物的稳态荧光光谱中 ,观察到以 2 4 0nm激发 ,在大约 4 0 0nm附近出现的由金属氧簇Oμ→Mo跃迁激发所引起的较强的发射峰 ,在化合物 (Ⅲ )中 ,还观察到通过 [Cuen]的荷移跃迁的以 5 70nm激发所产生的 6 0 4nm的发射峰。 相似文献
7.
Wenping Deng Gang Xu Lei Wan Anwen Liu Bo Gao Junhe Du Shuiming Hu Yang Chen 《Acta Physico》2008,24(8):1329-1334
Apparatus integrating a Fourier transform-infrared (FT-IR) spectrometer and a mid-infrared difference frequency generation (DFG) laser spectrometer was built for the study of the matrix isolation spectrum in solid molecular hydrogen. A 3-cm-long molecular hydrogen crystal was grown in a liquid-helium Dewar, and its infrared absorption spectrum in the 1-5 μm region was recorded to test the system. The W0(0) (ν=0←0, J=6←0) line around 2410 cm−1 of solid hydrogen was investigated with the DFG laser spectroscopy. High-resolution matrix isolation spectrum of CO2 co-deposited with hydrogen on a BaF2 cold plate at liquid-helium temperature was studied. 相似文献
8.
磺酞豚分子是一类极其重要的低毒超高效除草剂,有着十分重要的用途.研究分子的空间结构对于了解分子的构效关系十分重要.最近,我们测定的一系列分子的晶体结构[‘-’1表明,分子1、2、3晶体结构的空间群分别为PZ;儿、Pz、Pz,说明晶体中分别有对称元素(对称面或者对称中心),分子以对映体的形式存在于晶体中.由于磺酸豚分子本身不存在手性原子,由此推断磺酷服分子在晶体中存在的对映异构体是由内旋转阻碍产生的,因而应是构象异构体.本项研究工作的目的是应用分子力学方法,计算阻碍内旋转的能垒,从而找出分子内旋转时的最低… 相似文献
9.
10.
R. Cabrera‐Trujillo J. R. Sabin Y.
hrn E. Deumens 《International journal of quantum chemistry》2003,94(4):215-221
Under certain collision conditions, a swift ion projectile colliding with a target will gain rather than lose kinetic energy, contrary to the standard conception of stopping power. In this work, we consider the conditions for such a collision such that the energy loss is negative, that is, that there will be projectile kinetic energy gain. In particular, for a target initially in the ground state we find that the projectile gains kinetic energy only when charge exchange and de‐excitation processes are involved. This occurs when the electron affinity of the projectile is larger than the ionization potential of the target. Consequences of this effect are analyzed. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 94: 215–221, 2003 相似文献