全文获取类型
收费全文 | 1973篇 |
免费 | 120篇 |
国内免费 | 32篇 |
专业分类
化学 | 1370篇 |
晶体学 | 13篇 |
力学 | 133篇 |
数学 | 336篇 |
物理学 | 273篇 |
出版年
2024年 | 3篇 |
2023年 | 11篇 |
2022年 | 41篇 |
2021年 | 71篇 |
2020年 | 81篇 |
2019年 | 83篇 |
2018年 | 113篇 |
2017年 | 96篇 |
2016年 | 157篇 |
2015年 | 110篇 |
2014年 | 145篇 |
2013年 | 242篇 |
2012年 | 174篇 |
2011年 | 153篇 |
2010年 | 126篇 |
2009年 | 116篇 |
2008年 | 102篇 |
2007年 | 72篇 |
2006年 | 47篇 |
2005年 | 34篇 |
2004年 | 26篇 |
2003年 | 15篇 |
2002年 | 18篇 |
2001年 | 11篇 |
2000年 | 3篇 |
1999年 | 5篇 |
1998年 | 4篇 |
1997年 | 5篇 |
1996年 | 2篇 |
1995年 | 5篇 |
1994年 | 3篇 |
1993年 | 6篇 |
1992年 | 9篇 |
1991年 | 2篇 |
1990年 | 2篇 |
1986年 | 3篇 |
1985年 | 5篇 |
1984年 | 5篇 |
1982年 | 1篇 |
1981年 | 2篇 |
1980年 | 2篇 |
1979年 | 1篇 |
1977年 | 1篇 |
1975年 | 1篇 |
1974年 | 1篇 |
1971年 | 1篇 |
1970年 | 2篇 |
1969年 | 1篇 |
1968年 | 1篇 |
1967年 | 1篇 |
排序方式: 共有2125条查询结果,搜索用时 15 毫秒
41.
42.
In this study, the biologically active configurations composed of Thiazolidinedione–Uracil (TU) and Rhodanine–Uracil (RU) have been fully investigated from the energetic and structural points of view, employing B3LYP and M062X functionals in combination with the different basis sets. Dispersion corrections to the interaction energy using M062X–GD3 and double hybrid density functionals (B2PLYP–GD2, B2PLYP–GD3 and mPW2PLYP–GD2) are also taking into account. The basis set superposition error-corrected interaction energy for hydrogen bonded configurations ranges from ??5.27 to ??13.53 and ??5.25 to ??12.93 kcal/mol for TU and RU complexes respectively as calculated at M062X/6–311++G(df,pd) level. The charge transfer process within all of the TU and RU configurations were analyzed using Natural Bond Orbital (NBO) calculations. The nature of the interactions is analyzed with NBO and Atoms in Molecules (AIM) analysis at M062X/6–311++G(df,pd) and energy decomposition analysis at BP86–D3/TZ2P(ZORA)//M062X/6–311++G(df,pd) level of theory. The results confirm that the nature of the interactions is nearly electrostatic, with a contribution of about 51–56% of the total interaction energy. The orbital interactions (ΔEorb) for the considered TU and RU complexes have a contribution of about 24–38% of the total interaction energy. Based on the AIM and NBO results, the interactions were defined as electrostatic H-bonds with partially covalent character. In addition, correlation between interaction energies and vibrational frequency changes was investigated. 相似文献
43.
44.
Mohammad Kazem Rofouei Mehdi Khodadadian Ali Reza Jalalvand Armin Beiza 《International journal of environmental analytical chemistry》2013,93(6):665-675
A new PVC-membrane electrode for Co2+ ions based on N,N′-di(thiazol-2-yl)formimidamide (TF) as membrane carrier has been developed. The electrode resulted in Nernstian response (29.5?±?0.4?mV decade?1) for Co2+ ion over a wide concentration range (2.5?×?10?7 ?1.0?×?10?1?M) with a detection limit of 6.1?×?10?8?M. The sensor has a response time of about 10?s, and can be used for at least 2 months without observing any deviation from the Nernstain response. The electrode revealed good selectivity towards cobalt(II) ion over a wide variety of alkali, alkaline earth, transition, and heavy metal ions and could be used in the pH range 2.0–7.0. The electrode was used for determination of Co2+ in real samples. 相似文献
45.
Ebrahim Soleimani Mohammad Mehdi Khodaei Afsaneh Taheri Kal Koshvandi 《Comptes Rendus Chimie》2012,15(4):273-277
An environmentally friendly and simple method for the synthesis of alkyl nitriles or β-cyanocarbonyls via a one-pot three-component reaction of Meldrum's acid, aldehydes and sodium cyanide in water, without using any catalyst or activation at room temperature is reported. 相似文献
46.
Mehdi Shafiee Ahmad R. Khosropour Iraj Mohammadpoor-Baltork Majid Moghadam Shahram Tangestaninejad Valiollah Mirkhani 《Tetrahedron letters》2012,53(24):3086-3090
A novel, diastereoselective, one-pot synthesis of new bis-Betti bases via condensation of dihydroxynaphthalene, two equivalents of aryl aldehydes, and two equivalents of 3-amino-5-methylisoxazole is reported. Conversion into the adducts was almost quantitative without the use of solvent or catalyst. The reaction conditions are very simple and enable easy isolation of the product. 相似文献
47.
Mehdi Rimaz Hossein Mousavi Laya Nikpey Behzad Khalili 《Research on Chemical Intermediates》2017,43(7):3925-3937
48.
49.
Mohammad Mehdi Rashidi Hamed Shahmohamadi 《Communications in Nonlinear Science & Numerical Simulation》2009,14(7):2999-3006
In this letter, we will consider variational iteration method (VIM) and Padé approximant, for finding analytical solutions of three-dimensional viscous flow near an infinite rotating disk. The solutions is compared with the numerical (fourth-order Runge–Kutta) solution. The results illustrate that VIM–Padé is an appropriate method in solving the systems of nonlinear equations. It is predicted that VIM–Padé can have wide application in engineering problems (especially for boundary-layer and natural convection problems). 相似文献
50.