全文获取类型
收费全文 | 11934篇 |
免费 | 3362篇 |
国内免费 | 1339篇 |
专业分类
化学 | 4114篇 |
晶体学 | 72篇 |
力学 | 169篇 |
综合类 | 81篇 |
数学 | 1046篇 |
物理学 | 11153篇 |
出版年
2024年 | 58篇 |
2023年 | 210篇 |
2022年 | 609篇 |
2021年 | 562篇 |
2020年 | 509篇 |
2019年 | 452篇 |
2018年 | 418篇 |
2017年 | 428篇 |
2016年 | 599篇 |
2015年 | 545篇 |
2014年 | 736篇 |
2013年 | 983篇 |
2012年 | 753篇 |
2011年 | 876篇 |
2010年 | 705篇 |
2009年 | 716篇 |
2008年 | 907篇 |
2007年 | 895篇 |
2006年 | 855篇 |
2005年 | 719篇 |
2004年 | 625篇 |
2003年 | 560篇 |
2002年 | 542篇 |
2001年 | 397篇 |
2000年 | 429篇 |
1999年 | 285篇 |
1998年 | 301篇 |
1997年 | 198篇 |
1996年 | 117篇 |
1995年 | 114篇 |
1994年 | 74篇 |
1993年 | 68篇 |
1992年 | 64篇 |
1991年 | 49篇 |
1990年 | 52篇 |
1989年 | 48篇 |
1988年 | 28篇 |
1987年 | 21篇 |
1986年 | 25篇 |
1985年 | 20篇 |
1984年 | 21篇 |
1983年 | 8篇 |
1982年 | 7篇 |
1981年 | 10篇 |
1979年 | 4篇 |
1978年 | 7篇 |
1977年 | 4篇 |
1976年 | 5篇 |
1975年 | 4篇 |
1972年 | 3篇 |
排序方式: 共有10000条查询结果,搜索用时 0 毫秒
91.
We consider the equilibrium dynamics of a system consisting of a spin interacting with an ideal Fermi gas on the lattice , 3. We present two examples: when this system is unitarily equivalent to an ideal Fermi gas or to a spin in an ideal Fermi gas without interaction between them. 相似文献
92.
以4-甲基苯磺酸作催化剂、用三乙胺调节pH值约为9的条件下, 由5-甲酰基-8-羟基喹啉和5-氨基-8-羟基喹啉合成了新的5,7′-(亚甲胺基)-二-8-羟基喹啉, 利用IR, UV, 1H NMR, MS确认了分子结构, 比较研究了其光致发光特性, 运用Gaussian 98量子化学程序包, 采用B3LYP密度泛函(DFT)的方法, 在6-31G(d,p)水平上对分子的几何构型进行结构优化; 并对目标化合物的稳定结构通过计算预测其振动光谱, 计算结果与实验值基本相符. 相似文献
93.
We present a systematic study of numerical accuracy of various forms of molecular caps that are employed in a recently developed molecular fractionation scheme for full quantum mechanical computation of protein-molecule interaction energy. A previously studied pentapeptide (Gly-Ser-Ala-Asp-Val) or P5 interacting with a water molecule is used as a benchmark system for numerical testing. One-dimensional potential energy curves are generated for a number of peptide-water interaction pathways. Our study shows that various forms of caps all give consistently accurate energies compared to the corresponding full system calculation with only small deviations. We also tested the accuracy of cutting peptide backbone at different positions and comparisons of results are presented. 相似文献
94.
F López Arbeloa J Ba?uelos Prieto V Martínez Martínez T Arbeloa López I López Arbeloa 《Chemphyschem》2004,5(11):1762-1771
Absorption and fluorescence (steady-state and time-correlated) techniques are used to study the photophysical characteristics of the pyrromethene 650 (PM650) dye. The presence of the cyano group at the 8 position considerably shifts the absorption and fluorescence bands to lower energies with respect to other related pyrromethene dyes; this is attributed to the strong electron-acceptor character of the cyano group, as is theoretically confirmed by quantum mechanical methods. The fluorescence properties of PM650 are intensively solvent-dependent. The fluorescence band is shifted to lower energies in polar/protic solutions, and the evolution of the corresponding wavelength with the solvent is analysed by a multicomponent linear regression. The fluorescence quantum yield and the lifetime strongly decrease in polar/protic solvents, which can be ascribed to an extra nonradiative deactivation, via an intramolecular charge-transfer state (ICT state), favoured in polar media. 相似文献
95.
John F. Callan A. P. De Silva R. C. Mulrooney B. Mc Caughan 《Journal of inclusion phenomena and macrocyclic chemistry》2007,58(3-4):257-262
Summary This review highlights recent advances in the use of quantum dots (QD’s) as luminescent sensors. The bulk of the study concentrates
on systems that possess organic ligands bound to the surface of QD’s. These ligands vary from low molecular weight thiols
to larger molecules such as maltose binding protein. All have one thing in common: when a target analyte binds to the ligand/receptor,
a perturbation of the system occurs, that registers itself as a change in the luminescence intensity of the QD. Two main mechanisms
are prevalent in controlling the luminescent intensity in such systems. The first is Photoinduced Electron Transfer (PET)
and the second energy transfer. This review looks at current sensors that operate by using these mechanisms. Two component
systems are also investigated where a quencher is first added to a solution of the QD, followed by addition of the target
analyte that interacts with the quencher to influence the luminescence intensity. 相似文献
96.
97.
Kovácik V Bekesová S Tvaroska I Hirsch J Chmelík J 《Journal of mass spectrometry : JMS》2004,39(12):1554-1561
Fragmentation mechanisms of electrospray ionization (ESI) mass spectrometry of aldobiuronic and pseudoaldobiuronic acid derivatives were elucidated by multistage mass spectrometric (MS(n), n = 2-5) measurements of selected ions. Characteristic under the conditions of ESI-MS analysis is the production of alkali metal (Na and K) cationized adducts. The probability the of locations of Na cations in per-O-methylated compounds was proved by quantum chemical calculations, using the Jaguar program. The most probably position of alkali metal attachment is the carboxy group of the methoxycarbonyl C-5 group of the uronic acid unit. Characteristic cleavages vary according the kind of O-derivatization. In most cases they take place on the acidic part of the dimer and at the interglycosidic oxygen atom. As a result, the criteria for the differentiation of aldobiouronic and pseudoaldobiouronic acids derivatives were elucidated. 相似文献
98.
YUAN Liwei WANG Yanqiu WANG Li BAI Jiling & HE Guozhong State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian China 《中国科学B辑(英文版)》2004,47(4)
Dichlorobenzene is a precursor molecule of di-oxins, which are some of the most toxic chemicals and are suspected of being mutagenic with the structure of benzene rings containing different numbers of chlorine atoms. They are seriously harmful to the health of human. Therefore, it is necessary to study these aryl chemicals especially dichlorobenzene molecules in great detail. In recent years, a number of groups have investi-gated the molecules of aryl halide. The near ultraviolet absorption sp… 相似文献
99.
Moonhor Ree Jong-Seong KimJae Jung Kim Byeang Hyean KimJuyoung Yoon Heesoo Kim 《Tetrahedron letters》2003,44(45):8211-8215
The synthesis of novel cavitands containing four fluorophores [tert-butoxycarbonyl protected 2,2′-bis(furyl)benzidine (t-BOC FurylBz) or 5,5′-bis(4-aminophenyl)-2,2′-bifuryl (t-BOC PFDA)] and ionophoric functional groups on the upper rim is reported. The cavitands bearing the four fluorophores emit blue light photoluminescence. In particular, the cavitand containing PFDA moieties exhibits a high photoluminescence quantum yield. 相似文献
100.
Summary Time-dependent perturbation theory has been applied to calculate the doubly excited triplet statesNsns:3Se,Npnp:3De andNdnd:3Ge (N=2, 3, 4,n=N+1, ... ,5) for He, Li+, Be2+ and B3+. A time-dependent harmonic perturbation causes simulataneous excitation of both the electrons with a change of spin state. The doubly excited energy levels have been identified as the poles of an appropriately constructed linearized variational functional with respect to the driving frequency. In addition to the transition energies, effective quantum numbers of these doubly excited states have been calculated and analytic representations of their wave functions are obtained. These are utilized to estimate the Coulomb repulsion term for these states which checks the consistency of the wave functions. These wave functions may also be used for calculating other physical properties of the systems. 相似文献