全文获取类型
收费全文 | 107篇 |
免费 | 1篇 |
专业分类
化学 | 79篇 |
晶体学 | 1篇 |
力学 | 2篇 |
数学 | 7篇 |
物理学 | 19篇 |
出版年
2020年 | 1篇 |
2018年 | 2篇 |
2017年 | 2篇 |
2016年 | 1篇 |
2015年 | 2篇 |
2014年 | 5篇 |
2013年 | 9篇 |
2012年 | 2篇 |
2011年 | 8篇 |
2010年 | 6篇 |
2009年 | 6篇 |
2008年 | 7篇 |
2007年 | 7篇 |
2006年 | 4篇 |
2005年 | 2篇 |
2004年 | 6篇 |
2003年 | 7篇 |
2002年 | 8篇 |
2001年 | 3篇 |
2000年 | 3篇 |
1999年 | 3篇 |
1998年 | 3篇 |
1993年 | 1篇 |
1989年 | 1篇 |
1987年 | 4篇 |
1986年 | 2篇 |
1976年 | 1篇 |
1969年 | 1篇 |
1910年 | 1篇 |
排序方式: 共有108条查询结果,搜索用时 31 毫秒
1.
I.I. Baskin S. Lozano M. Durot G. Marcou D. Horvath 《SAR and QSAR in environmental research》2020,31(8):597-613
ABSTRACT Here we report a new predictive model for autoignition temperature (AIT), an important physical parameter widely used to assess potential safety hazards of combustible materials. Available structure-AIT data extracted from different sources were critically analysed. Support vector regression (SVR) models on different data subsets were built in order to identify a reliable compound set on which a realistic model could be built. This led to a selection of the dataset containing 875 compounds annotated with AIT values. The thereupon-based SVR model performs reasonably well in cross-validation with the determination coefficient r 2 = 0.77 and mean absolute error MAE = 37.8°C. External validation on 20 industrial compounds missing in the training set confirmed its good predictive power (MAE = 28.7°C). 相似文献
2.
3.
Gabriela Ionita Petre Ionita Victor EM. Sahini Constantin Luca 《Journal of inclusion phenomena and macrocyclic chemistry》2001,39(3-4):269-271
The kinetics of oxidation of amino acids (Arg, His, Lys, Phe, Thr and Tyr), a dipeptide (Gly-His), and BSA (bovine serum albumin) by two persistent water soluble free radicals of the hydrazyl type has been studied.The rate decreases in the order Arg>Lys>Tyr>Thr>HisBSAPheGly-His with bothfree radicals. Addition to the reaction mixture of - and -cyclodextrin decreases the oxidation rate, probably due to amino acidencapsulation in the cyclodextrin cavity. -Cyclodextrin protects more efficiently against oxidation than -cyclodextrin. 相似文献
4.
5.
6.
I. I. Baskin M. I. Stankevich R. O. Devdariani N. S. Zefirov 《Journal of Structural Chemistry》1989,30(6):995-997
Moscow State University. Translated from Zhurnal Strukturnoi Khimii, Vol. 30, No. 6, pp. 145–147, November–December, 1989. 相似文献
7.
8.
9.
10.
T.?I.?MadzhidovEmail author T.?R.?Gimadiev D.?A.?Malakhova R.?I.?Nugmanov I.?I.?Baskin I.?S.?Antipin A.?A.?Varnek 《Journal of Structural Chemistry》2017,58(4):650-656
By the structural representation of a chemical reaction in the form of a condensed graph a model allowing the prediction of rate constants (logk) of Diels–Alder reactions performed in different solvents and at different temperatures is constructed for the first time. The model demonstrates good agreement between the predicted and experimental logk values: the mean squared error is less than 0.75 log units. Erroneous predictions correspond to reactions in which reagents contain rarely occurring structural fragments. The model is available for users at https://cimm.kpfu.ru/predictor/. 相似文献