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1.
三唑类含能配合物在含能材料领域受到广泛关注。利用溶液法合成了一例含能配合物[Cd (Hatzc)2(H2O)](LH1),其中H2atzc=3-羧基-5-氨基-1,2,4-三唑,并用X射线单晶衍射、元素分析、红外光谱等手段进行表征。单晶结构分析结果表明LH1属于单斜晶系,空间群为P21/n,呈一维链状结构,通过氢键相互作用形成三维超分子结构。LH1的爆速(D=10.4 km·s-1)、爆压(p=55.2 GPa)、爆轰能量(16.51 kJ·g-1)和密度(2.363 g·cm-3)均优于大多数含能配合物。撞击感度(>40 J)和摩擦感度(>360 N)表明LH1对撞击和摩擦的敏感性较低。高氯酸铵(AP)的催化热分解结果表明,在LH1的催化作用下,AP的高温分解峰提前38℃,释放的热量在较短的时间增加0.46 kJ·g-1,说明LH1对AP热分解具有良好的催化效果。  相似文献   
2.
An electro-oxidative cyclization pathway in which hydrazones are selected as starting materials to generate amphiphiles by reacting with benzylamines and benzamides was reported. This strategy successfully prepared a series of 1,2,4-triazoles in satisfactory yields. Moreover, the use of cheap stainless steel as the anode, the feasibility to conduct the transformation as a one-pot reaction and the proof that scaling-up these reactions is possible make this transformation attractive for potential application in industry.  相似文献   
3.
The reactions of 3-tert-butyl-7-R1-8-R2-pyrazolo[5,1-c][1,2,4]triazines (R1 = H, Br; R2 = Me, n-Bu) with N-bromosuccinimide in the presence of R3CO2H (R3 = Me, t-Bu, Ph) afforded novel diastereomerically pure 3-tert-butyl-7-R1-8-R2-3,4-dihydropyrazolo[5,1-c][1,2,4]triazine-3,4-diyl dicarboxylates. The structures of the isolated products were established on the basis of IR, 1H, 13C, 2D NOESY NMR, high resolution mass spectrometry and X-ray single-crystal analysis. The steric and mechanistic origins of the observed regio- and stereoselectivity were also discussed.  相似文献   
4.
Abstract

Four new heteroleptic copper(I) complexes bearing either 2-pyridyl-1,2,3-triazole (pytri) or the related triphenylamine (TPA) substituted (TPA-tripy) ligands and the ancillary ligands 6,6′-dimesityl-2,2′-bipyridine (diMesbpy) or bis[(2-diphenylphosphino)phenyl] ether (POP) were synthesized in good yields (75-95%). All the complexes were extensively characterized using nuclear magnetic resonance (NMR) spectroscopies and electrospray ionization mass spectrometry (ESIMS) and in the case of the two pytri compounds the solid state structures were determined via X-ray crystallography. The pytri complexes showed MLCT absorption bands which shift from 433?nm for the diMesbpy complex to 347?nm for POP. TPA-pytri complexes introduce an ILCT band resulting in improved visible absorption (376?nm, 26,400 M?1 cm?1 for [Cu(TPA-pytri)(diMesbpy)](PF6)). Emission from this ILCT state (470?nm, Φ?=?0.08) was red-shifted compared to the free ligand with negligible effects from ancillary ligands. Band assignments were confirmed with resonance Raman spectroscopy and TD-DFT calculations.  相似文献   
5.
Using polynuclear metal clusters as nodes, many high‐symmetry high‐connectivity nets, like 8‐connnected bcu and 12‐connected fcu , have been attained in metal–organic frameworks (MOFs). However, construction of low‐symmetry high‐connected MOFs with a novel topology still remains a big challenge. For example, a uninodal 8‐connected lsz network, observed in inorganic ZrSiO4, has not been topologically identified in MOFs. Using 2,2′‐difluorobiphenyl‐4,4′‐dicarboxylic acid (H2L) as a new linker and 1,2,4‐triazole (Htrz) as a coligand, a novel three‐dimensional CdII–MOF, namely poly[tetrakis(μ4‐2,2′‐difluorobiphenyl‐4,4′‐dicarboxylato‐κ5O1,O1′:O1′:O4:O4′)tetrakis(N,N‐dimethylformamide‐κO)tetrakis(μ3‐1,2,4‐triazolato‐κ3N1:N2:N4)hexacadmium(II)], [Cd6(C14H6F2O4)4(C2H2N3)4(C3H7NO)4]n, (I), has been prepared. Single‐crystal structure analysis indicates that six different CdII ions co‐exist in (I) and each CdII ion displays a distorted [CdO4N2] octahedral geometry with four equatorial O atoms and two axial N atoms. Three CdII ions are connected by four carboxylate groups and four trz ligands to form a linear trinuclear [Cd3(COO)4(trz)4] cluster, as do the other three CdII ions. Two Cd3 clusters are linked by trz ligands in a μ1,2,4‐bridging mode to produce a two‐dimensional CdII–triazolate layer with (6,3) topology in the ab plane. These two‐dimensional layers are further pillared by the L2− ligands along the c axis to generate a complicated three‐dimensional framework. Topologically, regarding the Cd3 cluster as an 8‐connected node, the whole architecture of (I) is a uninodal 8‐connected lsz framework with the Schläfli symbol (422·66). Complex (I) was further characterized by elemental analysis, IR spectroscopy, powder X‐ray diffraction, thermogravimetric analysis and a photoluminescence study. MOF (I) has a high thermal and water stability.  相似文献   
6.
《Mendeleev Communications》2022,32(6):726-728
Reaction between 5-cyano-3,6-di(het)aryl-1,2,4-triazines and arylhydrazines with the following aza-Diels–Alder autoclave reaction affords hardly available 2-amino-3,6-di(het)aryl-pyridines in up to 67% yield after two steps and in 75% yield for the one-pot way. The compounds obtained can be promising for medicinal chemistry.  相似文献   
7.
Abstract

Dipeptide derivatives from p-aminobenzoyl-phenylglycine and p-aminobenzoyl-phenylalanine were grafted on 1,2,4-triazole heterocycle in order to get new substances with potential biological activity. The compounds synthetized and characterized in this paper have a structure that fits in the antimetabolites category, products used to treat malignant tumors. The presence of several bioactive groups in the same molecule permits us to study the chemical structure - biological activity correlation based on computational analyses using SPARTAN’14 software. Some correlations between the molecular parameters established with Spartan’14 software are evidenced in this paper.  相似文献   
8.
Abstract

This review reports the developed methods for the synthesis of polyfunctional 1,2,4-triazine systems bearing and/or containing phosphorus atoms as donor-acceptors interactions. Most of the synthetic methods depend on the interaction between an amino group of the side chain of 1,2,4-triazine with phosphorus reagents. The biological activities, i.e. their biocidal affects as antioxidants, antimicrobials, anti-inflammatory as well as molluscicidal agents against some snails are discussed.  相似文献   
9.
The appropriate 1-arylhydrazinecarbonitriles 1a–c are subjected to the reaction with 2-chloro-4,5-dihydro-1H-imidazole (2), yielding 7-(4,5-dihydro-1H-imidazol-2-yl)-2-aryl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazol-3(5H)-imines 3a–c, which are subsequently converted into the corresponding amides 4a–e, 8a–c, sulfonamides 5a–n, 9, ureas 6a–I, and thioureas 7a–d. The structures of the newly prepared derivatives 3a–c, 4a–e, 5a–n, 6a–i, 7a–d, 8a–c, and 9 are confirmed by IR, NMR spectroscopic data, as well as single-crystal X-ray analyses of 5e and 8c. The in vitro cytotoxic potency of these compounds is determined on a panel of human cancer cell lines, and the relationships between structure and antitumor activity are discussed. The most active 4-chloro-N-(2-(4-chlorophenyl)-7-(4,5-dihydro-1H-imidazol-2-yl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazol-3(5H)-ylidene)benzamide (4e) and N-(7-(4,5-dihydro-1H-imidazol-2-yl)-2-(p-tolyl)-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazol-3(5H)-ylidene)-[1,1′-biphenyl]-4-sulfonamide (5l) inhibits the growth of the cervical cancer SISO and bladder cancer RT-112 cell lines with IC50 values in the range of 2.38–3.77 μM. Moreover, N-(7-(4,5-dihydro-1H-imidazol-2-yl)-2-phenyl-6,7-dihydro-2H-imidazo[2,1-c][1,2,4]triazol-3(5H)-ylidene)-4-phenoxybenzenesulfonamide (5m) has the best selectivity towards the SISO cell line and induces apoptosis in this cell line.  相似文献   
10.
A novel polymer supported [poly (styrene-co-maleic imide) (SMI)]Cu(I) nano-particles was prepared via in situ reaction of 4-amino-5-methyl-4H-1,2,4-triazole-3-thione with [poly (styrene-co-maleic anhydride)] (SMA) along with immobilization of CuI. These nano-particles were fully characterized by using scanning electron microscopy (SEM), energy dispersive spectroscopy analysis, Xray (EDAX), inductively coupled plasma (ICP) analysis, 1H NMR and FT-IR techniques. Moreover, the structural and electronic features of metal–ligand interactions in the complex model of polymer-supported copper nanocatalyst were assessed using density functional theory calculations. The catalytic activity of these supported Cu(I) nonoparticles was examined in one of the classiest name reaction so–called “click reaction” which is coined K. B Sharpless for the regioselective synthesis of 1,2,3-triazole derivatives using a multicomponent reaction (MCR) involving benzyl halides, sodium azide and terminal alkynes in water as a green solvent. This heterogeneous catalyst showed excellent catalytic activity and was separated by simple filtration and was used at least in five consecutive runs without a significant decrease in its activity.  相似文献   
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