全文获取类型
收费全文 | 977篇 |
免费 | 24篇 |
国内免费 | 72篇 |
专业分类
化学 | 832篇 |
晶体学 | 3篇 |
力学 | 4篇 |
数学 | 2篇 |
物理学 | 232篇 |
出版年
2024年 | 3篇 |
2023年 | 52篇 |
2022年 | 6篇 |
2021年 | 10篇 |
2020年 | 20篇 |
2019年 | 30篇 |
2018年 | 17篇 |
2017年 | 31篇 |
2016年 | 24篇 |
2015年 | 20篇 |
2014年 | 35篇 |
2013年 | 48篇 |
2012年 | 34篇 |
2011年 | 58篇 |
2010年 | 51篇 |
2009年 | 69篇 |
2008年 | 53篇 |
2007年 | 55篇 |
2006年 | 57篇 |
2005年 | 58篇 |
2004年 | 64篇 |
2003年 | 34篇 |
2002年 | 24篇 |
2001年 | 30篇 |
2000年 | 18篇 |
1999年 | 28篇 |
1998年 | 32篇 |
1997年 | 13篇 |
1996年 | 47篇 |
1995年 | 12篇 |
1994年 | 4篇 |
1993年 | 4篇 |
1992年 | 2篇 |
1991年 | 7篇 |
1990年 | 4篇 |
1989年 | 3篇 |
1988年 | 2篇 |
1985年 | 2篇 |
1984年 | 2篇 |
1982年 | 2篇 |
1981年 | 1篇 |
1980年 | 3篇 |
1975年 | 1篇 |
1974年 | 1篇 |
1970年 | 1篇 |
1968年 | 1篇 |
排序方式: 共有1073条查询结果,搜索用时 15 毫秒
51.
We investigate the behavior of optical absorption of boron–nitride nanotubes (6,0) in the context of Hubbard model at the paramagnetic sector. GW approximation has been implemented in order to make self-energy matrix of electronic system. Afterwards, the real and imaginary parts of transverse dielectric functions have been obtained using linear response theory. The results show that the frequency gap in the optical absorption decreases with Coulomb repulsion strength. Moreover the results show that the local Coulomb interaction leads to the appearance of the excitonic effects in the optical spectrum. Finally the effects of electronic concentration on the frequency behavior of imaginary part of dielectric function have been investigated. 相似文献
52.
Density functional theory (DFT) studies are done to investigate structural and electronic properties of (5,5) chirality single walls boron nitride nanotubes (BNNTs) in the armchair model interacting with metformin (MF) on the surface and ends. Our calculations consider the exchange-correlation energies with the Hamprecht–Cohen–Tozer–Handy functional within the generalized gradient approximation (HCTH-GGA) and the double polarized DNP base function. The geometry optimization follows the minimum energy criterion for all six geometries we have considered. Results show that the MF is adsorbed through the groups NH2–NH at one end of the nanotube. The system polarity is increased which indicates the possible dispersion and solubility. Moreover the interaction between these species induces an increase in the chemical reactivity of the order of 0.42 eV. Meanwhile the solvation in water keeps the semiconductor characteristics of both nanotube and MF. The work function of the BNNT-MF is drastically reduced respect to the pristine system when the BN nanotube is doped at its surface and ends with carbon. This means that the functionalized BN nanotube facilitates conditions to improve field emission. 相似文献
53.
《Analytical letters》2012,45(6):455-464
Abstract 4-(p-Sulfophenylazo)-l, 8-dihydroxynaphthalene (SPADN) was synthesized to study as a new reagent for the spectro-photometric determination of boron, measuring its absorbance on addition of boron present as boric acid at pH 8.6. The procedure involved mixing aliquots of the sample, ammonium buffer, EDTA and SPADN solutions. Various exchange equilibrium constants in the ion-association extraction systems of SPADN with zephiramine were also determined. 相似文献
54.
S. Zahra Sayyad-Alangi Saeedeh Hashemian Mohammad T. Baei 《Phosphorus, sulfur, and silicon and the related elements》2013,188(4):453-464
Abstract Density functional theory (DFT) calculations at the B3LYP/6–31G* level were performed to investigate covalent functionalization of imidazole on pristine (in gas and H2O phases) and Ga-doped BPNT models in terms of energetic, geometric, and electronic properties. The results show that imidazole, as a functional group, prefers to be adsorbed via its nitrogen atom on the pristine, GaB, and GaP nanotube models. The adsorption energy of imidazole on the (6,0) zigzag BPNT in gas and solvent phases is ?0.76 and ?1.11 eV, respectively, and about 0.38 and 0.43 electron are transferred from the imidazole to nanotube in the phases. The presence of a polar solvent increases the electron donor of imidazole molecule. The results show that Ga doping can significantly enhance the adsorption energy of imidazole on the nanotube models to about 95%. Moreover, the imidazole adsorption on the pristine and Ga-doped BPNT models has not significant changes in the energy gap of the nanotube models and it is slightly changed after covalent functionalization process. This study may provide new insight to the development of functionalized boron phosphide nanotubes for generation of the new hybrid compounds especially in drug delivery systems for virtual applications. 相似文献
55.
Kiran Singhal Dharmendra K. Srivastava 《Phosphorus, sulfur, and silicon and the related elements》2013,188(8):1673-1678
Abstract Interactions of HgX2 (X = Cl, Br, I, SCN, CN, NCO), SbCl3, TeCl4, and PhTeCl3 with Ph3Sn-O-SiPh3 at room temperature have been found to proceed with the simultaneous cleavage of Sn-O and Si-O bonds, invariably yielding Ph2SnO, Ph3SiX, and the corresponding organo-mercury, -antimony, and -tellurium derivatives. The course of the reactions suggests the instability of the Sn-O-M (M = Hg, Sb, Te) system. GRAPHICAL ABSTRACT 相似文献
56.
We have investigated the effect of axial magnetic field on the band structure, dipole matrix elements and absorption spectrum in different energy ranges, using tight binding approximation. It is found that magnetic field breaks the degeneracy in the band structure and creates new allowed transitions in the dipole matrix which leads to creation of new peaks in the absorption spectrum. It is found that, unlike to CNTs which show metallic–semiconductor transition, the BNNTs remain semiconductor in any magnetic field strength. By calculation the diameter dependence of peak positions, we found that the positions of three first peaks in the lower energy region (E <5.3 eV) are proportional to n−2. In the middle energy region (7 < E < 7.5 eV) all (n, 0) zigzag BNNTs, with even and odd nanotube index, have two distinct peaks in the absence of magnetic field which these peaks may be used to identify zigzag BNNTs from other tube chiralities. For odd (even) tubes, in the middle energy region, applying the magnetic field leads to splitting of these two peaks into three (five) distinct peaks. 相似文献
57.
Amanda B. Lima Eric O. Faria Rodrigo H. O. Montes Rafael R. Cunha Eduardo M. Richter Rodrigo A. A. Munoz Wallans T. P. dos Santos 《Electroanalysis》2013,25(7):1585-1588
The electrochemical oxidation of ibuprofen at a boron‐doped diamond electrode (BDDE) and its voltammetric determination is reported for the first time. A well‐defined oxidation peak was observed at around 1.6 V in 0.1 mol L?1 H2SO4 solution with 10 % (v/v) ethanol at the BDDE surface activated by either cathodic or anodic pretreatments. A differential‐pulse voltammetric method for the determination of ibuprofen in pharmaceutical formulations was optimized with a detection limit of 5 µmol L?1 and compared with the British Pharmacopeia method. 相似文献
58.
A novel fluorescent probe based on B,O-chelated dipyrromethene chromophore in far-visible and near-infrared spectral region (600–900 nm), boron chelated 8-(3,4-diaminophenyl)-3,5-bis(2-hydroxyphenyl)-4-bora-3a,4a-diaza-s-indancene (BOPB), has been first developed for nitric oxide (NO) imaging. BOPB, a turn-on fluorescent probe, can react with NO rapidly under physiological condition. The reaction product of BOPB with NO, BOPB-T, emits bright red fluorescence at 643 nm when excited at 622 nm. Meanwhile, BOPB-T displays high fluorescent quantum yield of 0.21 and good photostability. The selectivity for NO over other reactive oxygen/nitrogen species and ascorbic acid has been investigated and BOPB has good specificity for the detection of NO. MTT assay shows that the toxicity of BOPB (below 10 μM) to living cells can be neglected. Based on these investigations, BOPB has been used for NO imaging in Raw 264.7 cells and onion tissues. Meanwhile, mechanical injury to onion tissues results in a brighter fluorescence around the wound, which indicates that more NO has been produced in plant tissues in response to external stimuli. Our studies illustrate that BOPB has advantages of high sensitivity, low background interference and little photo damage on fluorescence imaging of NO. 相似文献
59.
Diketopyrrolopyrrole (DPP) derivatives bearing 2-pyridyl groups were synthesized, which could serve as anionic N,N′-chelate ligands consisting of two nitrogen atoms of the lactam moieties and the pyridyl groups. Coordination of the DPP ligand to boron and platinum yielded the corresponding DPP complexes. Their crystal structures exhibited coplanar structures between the DPP core and the 2-pyridyl groups, which indicated extended π-conjugation. The maximum absorption wavelength of the DPP complexes was longer than that of the corresponding DPP ligands. The choice of the introduced element affects the optical properties of the DPP complexes; the platinum complex has a longer absorption wavelength than the boron complex. The theoretical calculation revealed that these absorptions can be attributed to the π–π* transition. The introduction of the coordinating elements predominantly lowers the band gap. In addition, the substituent on the 2-pyridyl group can also modulate the energy levels. 相似文献
60.
An efficient and simple method for the synthesis of 2-unsubstituted 1-aryl-4- and 1-aryl-5-acylimidazoles has been developed. It consists in the condensation of α-diketone monooximes with aromatic amines and formaldehyde on the presence of boron trifluoride etherate, leading to the formation of stable boron trifluoride complexes of N-oxides. Further reduction of these complexes led to the corresponding imidazoles. This method permits broad variations of substituents in the aryl part of these compounds. 相似文献