全文获取类型
收费全文 | 1918篇 |
免费 | 69篇 |
国内免费 | 8篇 |
专业分类
化学 | 1366篇 |
晶体学 | 22篇 |
力学 | 80篇 |
数学 | 117篇 |
物理学 | 410篇 |
出版年
2023年 | 21篇 |
2022年 | 26篇 |
2021年 | 41篇 |
2020年 | 47篇 |
2019年 | 69篇 |
2018年 | 40篇 |
2017年 | 39篇 |
2016年 | 68篇 |
2015年 | 32篇 |
2014年 | 53篇 |
2013年 | 157篇 |
2012年 | 91篇 |
2011年 | 163篇 |
2010年 | 88篇 |
2009年 | 52篇 |
2008年 | 78篇 |
2007年 | 74篇 |
2006年 | 68篇 |
2005年 | 56篇 |
2004年 | 59篇 |
2003年 | 44篇 |
2002年 | 54篇 |
2001年 | 28篇 |
2000年 | 24篇 |
1999年 | 11篇 |
1998年 | 12篇 |
1997年 | 11篇 |
1996年 | 19篇 |
1995年 | 14篇 |
1994年 | 13篇 |
1993年 | 16篇 |
1992年 | 17篇 |
1988年 | 18篇 |
1987年 | 19篇 |
1986年 | 13篇 |
1985年 | 19篇 |
1984年 | 12篇 |
1983年 | 14篇 |
1980年 | 22篇 |
1979年 | 12篇 |
1978年 | 18篇 |
1976年 | 12篇 |
1975年 | 10篇 |
1966年 | 25篇 |
1965年 | 19篇 |
1964年 | 15篇 |
1963年 | 16篇 |
1962年 | 43篇 |
1961年 | 11篇 |
1960年 | 12篇 |
排序方式: 共有1995条查询结果,搜索用时 15 毫秒
81.
Molecular orbital calculations at the DFT-B3LYP/aug-cc-pVDZ level were performed for the possible tautomers of 1-amino-3-nitro-1,2,4-triazol-5-one-2-oxide. We have examined the substitution effects of amino and nitro groups by comparing calculated geometries, relative energies, and electrostatic potentials of model molecules. The optimized structures, vibrational frequencies, and thermodynamic values for triazol-5-one-N-oxides were obtained in their ground state. The results show 1H, 4H tautomers to be most stable. Detonation velocity and detonation pressure were evaluated by the Kamlet and Jacob equations based on the predicted density and the calculated heat of explosion. Explosive properties appear to be promising compared with those of 1,3,5-trinitro-1,3,5-triazine (D = 8.75 km/s, P = 34.7 Gpa) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (D = 8.96 km/s, P = 35.96 Gpa), 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (D = 9.20 km/s, P = 42.0 Gpa) and octanitrocubane (D = 9.90 km/s, P = 48.45 GPa). The designed triazol-5-one-N-oxides satisfy the criteria of high energy density materials. 相似文献
82.
Oxidation of chromanones (1a-i) and 2-spiro-chromanones (j-m) using [hydroxy(tosyloxy)iodo] benzene in refluxing acetonitrile as well as using ultrasound via dehydrogenation and 2,3-alkyl migration provides a convenient route for the synthesis of chromones (2a-i), tetrahydroxanthones (2j,k) and their higher homologues (21,m). The ultrasound also enhances substantially the rate of above transformations. 相似文献
83.
Surya K. De 《合成通讯》2013,43(16):2768-2774
Paal–Knorr condensation of 2,5-hexadione with primary amines in the presence of a catalytic amount of praseodymium(III) trifluoromethanesulfonate under solvent-free conditions has been accomplished with an excellent yield. This method is a very easy, rapid, and high-yielding reaction for the synthesis of N-substituted pyrrole derivatives. 相似文献
84.
Some 2,2′‐bi‐2H‐3,3′‐diaryl‐1,4‐benzothiazines (5a–f) were synthesized from α,α‐dibromoacetophenones and o‐aminothiophenol. 相似文献
85.
A useful synthesis of 3-hydroxy-4-chromanone (6) is not currently available. Lead tetraacetate oxidation of 4-chromanone (4) yields the C(3) acetoxy derivative but this compound could not be deacetylated to 6.1 Recently Donnelly and Maloney reported2 that the Algar-Flynn-Oyamada reaction (H2O2/CH3OH/NaOH), which is commonly used for the conversion of o-hydroxychalcones (1) into 3-hydroxyflavanone (2) and 3-hydroxyflavones (3), does not yield 6 when applied to o-hydroxya-crylophenone 1 (R = H). The authors found that under less basic conditions using K2CO3 some 6 is formed but the major product is catechol. These observations clearly indicate the necessity of developing a method for making 6. The present note describes a staightforward way of preparing 3-hydroxy-4-chromanone (6) in good yield. 相似文献
86.
We have achieved a facile copper(II) bromide–catalyzed synthesis of 2,3,4-trisubtitued pyrrole incorporated into unsymmetrical triarylmethanes through direct replacement of hydroxyl group in the pyrrolyl phenyl methanol with electron-rich aromatic and heteroaromatic compounds. The newly developed method has been applied to a facile synthesis of a C2 symmetric bis-triarylmethane in which the two triarylmethanes were bridged through piperzine. The copper(II) bromide catalysis led to C-C bond formation at the C(5) position when the reacting partner was imidazole. In contrast, C-N bond formation took place with benzimdazole or 2-methylbenzimidazole. 相似文献
87.
Manne Annapurna P. Vishnuvardhan ReddySurya Prakash Singh Mannepalli Lakshmi Kantam 《Tetrahedron》2013
The palladium-catalyzed cross-coupling reaction of vinyl heteroaromatic compounds with aryl bromides and heteroaryl bromides is described using air and moisture stable N,N′,N″,O-tetrafunctional Pd catalyst under phosphine-free conditions. As a result a variety of trans-1,2-disubstituted vinyl heterocycles were obtained in high to good yields. 相似文献
88.
Solubility of several anthraquinone derivatives in supercritical carbon dioxide was readily available in the literature, but correcting ability of the existing models was poor. Therefore, in this work, two new models have been developed for better correlation based on solid–liquid phase equilibria. The new model has five adjustable parameters correlating the solubility isotherms as a function of temperature. The accuracy of the proposed models was evaluated by correlating 25 binary systems. The proposed models observed provide the best overall correlations. The overall deviation between the experimental and the correlated results was less than 11.46% in averaged absolute relative deviation (AARD). Moreover, exiting solubility models were also evaluated for all the compounds for the comparison purpose. 相似文献
89.
90.
Khadhar Navaz Umar Basha Shanthi Gnanamani Prakash Shanmugam Sujatha Venugopal Sangeetha Murthy Balagurunathan Ramasamy 《Journal of heterocyclic chemistry》2021,58(10):2000-2008
A simple and convenient method for the one-pot synthesis of 3-(1H-indole-3-carbonyl)-2H-chromen-2-one derivatives from the reaction of 3-cyanoacetyl indole and salicylaldehyde in the presence of Na2CO3 in water: methanol (1:1) is described. Wider substrate scope, high yields, operational simplicity, and simple purification process make the protocol highly applicable in the synthesis of 3-(1H-indole-3-carbonyl)-2H-chromen-2-ones. For the first time, in vitro antioxidant and antimicrobial activity was studied. Compounds 5e , 7a , and 7b exhibits good radical scavenging ability against DPPH free radical. Compounds 7b , 5f , and 5g possess lower EC50 values than the Standards AA and BHA and thus proving their high reducing power. Compounds 5d and 5f show good antibacterial activity against gram-positive bacteria (MRSA) while compounds 5c , 7a , and 7b exhibits good antibacterial activity against Bacillus sp. Compounds 5b and 5e show good antibacterial activity against gram negative bacterial strains (Escherichia coli, Klebsiella pneumoniae) and compounds 5g and 5h exhibits good antifungal activity against Candida albicans. 相似文献