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991.
Mujie Yang Jinlong Xu Zhiquan Shen 《Journal of polymer science. Part A, Polymer chemistry》1990,28(12):3231-3240
The study on homogeneous rare earth coordination catalysts, LnL3-Al(i-Bu)3-CCl4, for the copolymerization of styrene with acrylonitrile has been successfully carried out for the first time. Some features and kinetic behavior of copolymerization of styrene with acrylonitrile by Nd(P204)3-Al(i-Bu)3-CCl4 system are described. The catalyst sites appear to possess both coordinate anionic and free radical characteristics. The catalytic activity of various rare earth elements in Ln(P204)3 and ligands in NdL3 for the copolymerization have the following order, respectively: Yb > Er > Tb ~ Tm > Ho > Ce > Lu ~ Sm ~ La > Pr > Nd, and Nd(naph)3 > Nd(P204)3 ~ Nd(P507)3 > Nd(acac)3·3H2O. An alternating-rich copolymer of styrene-acrylonitrile with a high softening point (195–230°C) was obtained by the LnL3-Al(i-Bu)3-CCl4 systems in toluene at 80°C. 相似文献
992.
A multi-wall carbon nanotube (MWNT)/cetyl pyridine bromine (CPB) composite film modified glassy carbon electrode (GCE) was
developed for the electrochemical determination of hymecromone in phosphonate buffer. Electrochemical behaviour of hymecromone
at the composite film electrode was investigated with voltammetry. Compared with an irreversible oxidation of hymecromone
at the bare GCE, the oxidation peak current was enhanced greatly at the film electrode. Some parameters such as pH, scan rate,
accumulation potential and accumulation time were optimized. Under optimal conditions, an oxidation peak at 0.82 V was employed
to determine hymecromone electrochemically. A linearity between the oxidation peak current and the hymecromone concentration
was obtained in the range of 3.0 × 10−7 − 2.0 × 10−5 mol 1−1 with a detection limit of 8.0 × 10−8 mol 1−1. The proposed procedure was successfully applied to assay hymecromone in pharmaceutical formulation with satisfactory results.
The text was submitted by the authors in English. 相似文献
993.
Zhang De-Qing Wang Shao-Jun Sun Hong-Shan Wang Xiu-Li Cao Mao-Sheng 《Journal of Sol-Gel Science and Technology》2007,41(2):157-161
Lead zirconate titanate nanopowders Pb(Zr0.52Ti0.48)O3 (PZT) were prepared by modified sol-gel process in ethylene glycol system with zirconium nitrate as the zirconium source.
The research showed that it was critical to add lead acetate after the reaction of zirconium nitrate and tetrabutyl titanate
in ethylene glycol system for preparing PZT of exact titanium content. The reaction mechanisms of the sol synthesis, preparation
of xerogel and agglutinating process were characterized through using FT-IR, NMR, TG-FTIR, and GC-MS. The experiment proved
that ethylene glycol system did not rely on hydrolysis and condensation reactions in the process of the sol formation, but
on the formation of chain or network large molecules from complexation of ethylene glycol and all Ti and minor Pd, Zr. In
the preparation of xerogel, the complexation reaction was so completed that it formed large molecules network composed of
metal and dioxyethyl. Bulk weight loss happened before 350°C in the process of sintering xerogel to prepare PZT nanopowders.
Volatile matters and vapor phase decomposition resultants were primarily oxy-compounds including ethylene glycol, aldehyde-ketone
compounds, carbon dioxide and nitrate radical conversion matters. After 350°C, primary vapor phase decomposition resultants
were carbon dioxide and minor carbonyl compound. 相似文献
994.
基于荧光激发光谱和发射光谱对波长呈高斯分布的设定,本文推导出固定波长同步荧光光谱峰峰值位置、相对强度和半峰宽度等3个主要光谱参数的理论计算式。所提出的计算式应用于若干荧光物质光谱参数的计算,并和实测值、文献计算值作了对照。结果表明,和文献计算方法相比,本法与所研究物质的实际光谱参数较为接近,可为固定波长同步荧光光谱参数的理论计算提供一有效方法。 相似文献
995.
Jian-yun Du 《Transition Metal Chemistry》2004,29(7):699-702
Two novel complexes, [Zn(dmatrz)2]Cl2
(1) and [Zn(dmatrz)2(SCN)2] (2), have been prepared and characterized by X-ray crystallography, absorption and luminescence spectrometries (dmatrz=3,5-dimethy-4-amino-1,2,4-triazole). The coordination environment of the zinc(II) ions in (1) and (2) has a distorted tetrahedral geometry completed via two independent nitrogen atoms of two triazole ligands and two anions, respectively. Both (1) and (2) show strong blue luminescence properties. Furthermore, (1) displays stronger blue photoluminescence than (2) as the result of different anions (Cl- and SCN-) coordinated to the zinc(II) ions. 相似文献
996.
Using ethylenediamine as a template, two one-dimensional (1-D) aluminophosphate compounds [AlP(2)O(8)H][NH(3)CH(2)CH(2)NH(3)] (1) and [AlP(2)O(8)][NH(3)CH(2)CH(2)NH(3)][NH(4)] (2) have been prepared from a gel system: 1.0:x:y:44 Al(i-PrO)(3)-H(3)PO(4)-en-EG (x = 3.0-9.0, y = 1.0-11.0). Compound 1 consists of edge-sharing four-membered ring (MR) chains, denoted as AlPO-ESC, and compound 2 consists of corner-sharing 4-MR chains, denoted as AlPO-CSC. The molar ratio of en:H(3)PO(4) in the starting gel has an important influence on the final product. If en:H(3)PO(4) > or = 1, AlPO-CSC is obtained, while if en:H(3)PO(4) < 1, AlPO-ESC is formed. These two chains can transform to each other upon addition of some extra amount of en or H(3)PO(4) to the reaction mixture in which AlPO-ESC or AlPO-CSC is crystallized. On the basis of XRD and (27)Al and (31)P MAS NMR analyses, a possible chain-to-chain transformation mechanism is proposed. The corner-sharing 4-MR chains of AlPO-CSC, as well as the edge-sharing 4-MR chains of AlPO-ESC can be assembled to 3-D open-framework compound NiAlP(2)O(8).C(2)N(2)H(9) through Ni(2+) cations. It is noted that AlPO-CSC remains in the structure of NiAlP(2)O(8).C(2)N(2)H(9). It is believed that AlPO-ESC might be first transformed to AlPO-CSC followed by the assembly to 3-D open-framework of NiAlP(2)O(8).C(2)N(2)H(9) through Ni(2+) cations. 相似文献
997.
Self-association system of(R)-1,3-butanediol in dilute carbon tetrachloride(CCl4)solution is studied as a model of molecular association mixture.Analysis methods including FSMWEFA(fixed-size moving window evolving factor analysis)combined with PCA(principal component analysis),SIMPLISMA (simple-to-use interactive self-modeling mixture analysis),and ITTFA(iterative target transformation factor analysis)are adopted to resolve infrared spectra of(R)-1,3-butanediol solution.Association number and equilibrium constant are computed.(R)-1,3-butanediol in dilute inert solution is determined as a monomer-trimer equilibrium system.Theoretical investigation of trimer structures is carried out with DFT(density functional theory),and structural factors are analyzed. 相似文献
998.
Keith E. Johnson Richard M. Pagni John Bartmess 《Monatshefte für Chemie / Chemical Monthly》2007,138(11):1077-1101
Summary. A background for studying acids in various solvents is developed, emphasizing the importance of knowing to what extent a solvent
conducts electricity and is therefore ionized, the dissociation equilibria of common molecular solvents and the acidic and
basic species generated by solvent leveling. Acidity measurements in the atypical solvent water are discussed and the common
method of expressing acidity in other systems – by Hammett values – is introduced. Representative examples of reactions involving Br?nsted acids in ionic liquids are presented and attention paid to the questions of speciation and acidity values. It is found that
the gas phase proton affinity of a base is often a better guide to the acidity of its conjugate acid in an ionic liquid than
is the dissociation constant of the said acid in water. 相似文献
999.
How does huperzine A enter and leave the binding gorge of acetylcholinesterase? Steered molecular dynamics simulations 总被引:9,自引:0,他引:9
Xu Y Shen J Luo X Silman I Sussman JL Chen K Jiang H 《Journal of the American Chemical Society》2003,125(37):11340-11349
The entering and leaving processes of Huperzine A (HupA) binding with the long active-site gorge of Torpedo californica acetylcholinesterase (TcAChE) have been investigated by using steered molecular dynamics simulations. The analysis of the force required along the pathway shows that it is easier for HupA to bind to the active site of AChE than to disassociate from it, which for the first time interprets at the atomic level the previous experimental result that unbinding process of HupA is much slower than its binding process to AChE. The direct hydrogen bonds, water bridges, and hydrophobic interactions were analyzed during two steered molecular dynamics (SMD) simulations. Break of the direct hydrogen bond needs a great pulling force. The steric hindrance of bottleneck might be the most important factor to produce the maximal rupture force for HupA to leave the binding site but it has a little effect on the binding process of HupA with AChE. Residue Asp72 forms a lot of water bridges with HupA leaving and entering the AChE binding gorge, acting as a clamp to take out HupA from or put HupA into the active site. The flip of the peptide bond between Gly117 and Gly118 has been detected during both the conventional MD and SMD simulations. The simulation results indicate that this flip phenomenon could be an intrinsic property of AChE and the Gly117-Gly118 peptide bond in both HupA bound and unbound AChE structures tends to adopt the native enzyme structure. At last, in a vacuum the rupture force is increased up to 1500 pN while in water solution the greatest rupture force is about 800 pN, which means water molecules in the binding gorge act as lubricant to facilitate HupA entering or leaving the binding gorge. 相似文献
1000.
Xian Zhao Daren Guan Xizhang Yi Guibao Xu Minhua Jiang 《International journal of quantum chemistry》2003,93(5):335-343
A dynamic Lie algebraic (DLA) formulation is applied to the study of nonlinear optical properties of the substituted benzenes. We have described the generation of the dynamic Lie algebra for the model Hamiltonian used in the present study. In terms of these elements of the dynamic algebra we express the evolution operator as a function of the group parameters, which can be determined by means of solving a system of coupled nonlinear differential equations. Thus, in terms of the density matrix operator formalism in statistical mechanics we obtain the statistical averages of the electric polarization and then derive readily an expression for the hyperpolarizability of the paradisubstituted benzenes. Comparisons with experimental observations and other quantum calculations of the hyperpolarizabilities for the paradisubstituted benzenes are made qualitatively and quantitatively. These results imply that the DLA method appears useful in describing the nonlinear optical phenomena in the substituted benzene molecules. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 335–343, 2003 相似文献