全文获取类型
收费全文 | 740篇 |
免费 | 14篇 |
国内免费 | 1篇 |
专业分类
化学 | 480篇 |
晶体学 | 11篇 |
力学 | 10篇 |
数学 | 93篇 |
物理学 | 161篇 |
出版年
2023年 | 5篇 |
2022年 | 14篇 |
2021年 | 11篇 |
2020年 | 14篇 |
2019年 | 8篇 |
2018年 | 15篇 |
2017年 | 9篇 |
2016年 | 16篇 |
2015年 | 13篇 |
2014年 | 12篇 |
2013年 | 63篇 |
2012年 | 37篇 |
2011年 | 40篇 |
2010年 | 45篇 |
2009年 | 37篇 |
2008年 | 53篇 |
2007年 | 41篇 |
2006年 | 54篇 |
2005年 | 28篇 |
2004年 | 24篇 |
2003年 | 34篇 |
2002年 | 25篇 |
2001年 | 11篇 |
2000年 | 5篇 |
1999年 | 3篇 |
1998年 | 4篇 |
1997年 | 5篇 |
1996年 | 8篇 |
1995年 | 12篇 |
1994年 | 8篇 |
1993年 | 7篇 |
1992年 | 7篇 |
1991年 | 2篇 |
1990年 | 6篇 |
1989年 | 7篇 |
1988年 | 4篇 |
1987年 | 8篇 |
1985年 | 5篇 |
1984年 | 5篇 |
1983年 | 3篇 |
1982年 | 9篇 |
1981年 | 7篇 |
1980年 | 6篇 |
1979年 | 3篇 |
1978年 | 2篇 |
1976年 | 2篇 |
1974年 | 3篇 |
1955年 | 3篇 |
1954年 | 4篇 |
1935年 | 2篇 |
排序方式: 共有755条查询结果,搜索用时 31 毫秒
31.
D. Bhaskar Reddy N. Chandrasekhar Babu V. Padmavathi A. Padmaja 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1):237-242
Abstract Different heteroatoms viz., N, S & Se have been incorporated into 2-arylethenyl-2′-arylethynyl sulfones by nucleophilic reaction with benzylmine, hydrogen sulfide and sodium hydrogen selenide. 相似文献
32.
2-Arylazo-5,5,10,10,15,15,20,20-octamethylcalix[4]pyrroles (azo-OMCPs) have been synthesised by the reaction of calix[4]pyrrole with aryldiazonium chloride in 15–45% yields. The solution-state binding studies of the synthesised hosts were investigated by absorption spectroscopy and 1H NMR in DMSO and CDCl3, respectively. These receptors, appended with electron-donating and electron-withdrawing groups, displayed enhanced affinity and selectivity for fluoride anion. Well-defined colour change in the visible region of the spectrum was observed upon addition of fluoride ion in DMSO solution of azo-OMCPs. Detailed NMR studies in CDCl3 revealed that azo-OMCPs with nitro and chloro groups have higher binding affinity for fluoride ion. 相似文献
33.
Kaushik Sen Bhaskar Mondal Srimanta Pakhira Chandan Sahu Deepanwita Ghosh Abhijit K. Das 《Theoretical chemistry accounts》2013,132(8):1-17
The association reaction between silyl radical (SiH3) and H2O2 has been studied in detail using high-level composite ab initio CBS-QB3 and G4MP2 methods. The global hybrid meta-GGA M06 and M06-2X density functionals in conjunction with 6-311++G(d,p) basis set have also been applied. To understand the kinetics, variational transition-state theory calculation is performed on the first association step, and successive unimolecular reactions are subjected to Rice–Ramsperger–Kassel–Marcus calculations to predict the reaction rate constants and product branching ratios. The bimolecular rate constant for SiH3–H2O2 association in the temperature range 250–600 K, k(T) = 6.89 × 10?13 T ?0.163exp(?0.22/RT) cm3 molecule?1 s?1 agrees well with the current literature. The OH production channel, which was experimentally found to be a minor one, is confirmed by the rate constants and branching ratios. Also, the correlation between our theoretical work and experimental literature is established. The production of SiO via secondary reactions is calculated to be one of the major reaction channels from highly stabilized adducts. The H-loss pathway, i.e., SiH2(OH)2 + H, is the major decomposition channel followed by secondary dissociation leading to SiO. 相似文献
34.
Asymmetric total synthesis of the sex pheromones of Japanese beetle and currant stem girdler, (R)‐japonilure (1) and (4R,9Z)‐9‐octadecen‐4‐olide (2), has been achieved. 相似文献
35.
Z-6-Heneicosen-11-one (1) and Z-1,6-Heneicosen-11-one (2) are the sex pheromones of the Douglas-Fir Tussock moth, ‘Orgyia Pseudo Sugata’, isolated1,2 in 1975 and 1978 respectively. In contrast with other lepidopterous pheromones, which are unsaturated C12-C14 primary alcohols or acetates, these were found to be C21 ketones. The Douglas-Fir Tussock moth is a severe defoliator of the Fir forest; consequently, considerable interest attends the synthesis of these two pheromones. A number of syntheses of these two pheromones have been reported3 amongst which is one of our synthesis using N,N-dimethyl acetone 4 hydrazone as key intermediate. 相似文献
36.
Bhaskar R. Aluri Mohammed Ghalib Markus K. Kindermann Peter G. Jones Joachim W. Heinicke 《Heteroatom Chemistry》2015,26(6):426-435
The reactivity of tBuLi (pentane) toward the N‐neopentyl‐substituted π‐excess P=CH–N heterocycle 1 depends on the solvent (tetrahydrofuran, diethyl ether, hexane, and toluene) and reaction conditions. Trapping of the resulting organolithium compounds with CO2/ClSiMe3, ClSiMe3, or EtI led to various products indicating CH lithiation ( 1a , b ), normal addition of tBuLi at the P=C bond (E/Z ‐2a , b ), inverse addition of the primary addition product 2Li at the P=C bond of a second molecule 1 , affording 3‐tert‐butyl‐2,2’‐bis(1,3‐benzazaphospholines) 3 , or inverse addition of tBuLi ( 4b,c ). The formation of 3 demonstrates a novel route to asymmetric heterocyclic 1,2‐diphosphine ligands. The structure elucidation of the new compounds is based on their 31P and 13C NMR data with conclusive chemical shifts and P–C coupling constants, that of the isolated PH‐functionalized diphosphine 3 on crystal structure analysis. 相似文献
37.
The present work investigates the best mix ratio of Glycerol in Water as a medium to prepare a stable nanofluid. Increasing the proportion of glycerol enhances the aqueous mix's dynamic viscosity and improves the prepared nanofluid's stability. The thermal conductivity and viscosity of the Glycerol and Water mixtures determination were undertaken at various Glycerol ratios. The best percentage of glycerol in the mixture is found to have the least amount of thermal conductivity loss and the optimum viscosity gain. Silica (SiO2) nanofluid of 0.25%, 0.5%, 1%, and 1.5% weight concentrations was prepared with this optimal mixture of Glycerol and Water. The stability of these SiO2 nanofluids is evaluated by determining the zeta potential at different time intervals. The nanofluids prepared were observed to be stable for one month. The thermal conductivity and viscosity of the nanofluids are measured between the temperature limits of 30°–70°C. A peak increment of 32.1%and 46.3% in thermal conductivity and viscosity is observed. Furthermore, when the percentage enhancement ratio (PER) and Mouromtseff ratio of these nanofluids is examined, it is observed that they have more excellent thermal performance at higher temperatures. Regression correlations are developed to estimate the thermal conductivity and viscosity of the prepared nanofluids with a maximum deviation of 9%. 相似文献
38.
Bhaskar Bishayee Biswajit Ruj Santanu Nandi Rishya Prava Chatterjee Aparajita Mallick Prasenjit Chakraborty Jayato Nayak Sankha Chakrabortty 《印度化学会志》2022,99(1):100302
The current investigation involves a continuous adsorption experiment in a packed bed column for the sorptive elucidation of fluoride from contaminated groundwater using an activated soil-clay mixture. Through the combination of naturally accessible laterite soil with silica enriched clay (3:1 ratio), a low-cost Al–Si heterogeneous material has been developed. Following detailed characterization, the developed materials were employed in a long-time column process to achieve a high degree of fluoride separation from real-world groundwater. In a packed bed column investigation, the effect of bed height, initial fluoride concentration, and flow rate on the breakthrough properties of the adsorption system were investigated. By using a non-linear regression equation, three model kinetics, such as the Thomas Model, Adams-Bohart Model, and Yoon-Nelson Model, were fitted to validate the column-based experimental data, by analysing the breakthrough curves profiles, and distinct kinetic parameters. The Bed Depth Service Time Analysis (BDST) model was tested to express the effect of bed height on breakthrough curves, as well as to predict the time for breakthrough, and material depletion under optimal conditions. The Thomas and Yoon-Nelson models were identified to be the most appropriate ones for describing the entire breakthrough curve, whereas the Adams-Bohart model was only utilised to predict the first half of the dynamic process. With correlation coefficients (R2) 0.96, the experimental results were well suited to Thomas, Yoon-Nelson, and Adams-Bohart models. Finally, regeneration assessment was carried out where even after four cycles of operation, regenerated adsorbent showed a rejection efficacy of 78% to fluoride that proves the viability of the material and methodology. 相似文献
39.
Weber Jeffrey K. Morrone Joseph A. Bagchi Sugato Pabon Jan D. Estrada Kang Seung-gu Zhang Leili Cornell Wendy D. 《Journal of computer-aided molecular design》2022,36(5):391-404
Journal of Computer-Aided Molecular Design - We here present a streamlined, explainable graph convolutional neural network (gCNN) architecture for small molecule activity prediction. We first... 相似文献
40.
Gabriella Kervefors Kumar Bhaskar Pal Gergely L. Tolnai Mukul Mahanti Hakon Leffler Ulf J. Nilsson Berit Olofsson 《Helvetica chimica acta》2021,104(2):e2000220
β-Galactose derivatives have recently been reported to selectively inhibit galectin-3, and a library of O3-arylated galactosides with varying substitution patterns was designed to study such inhibitions further. The O3-arylated galactosides were synthesized using diaryliodonium salts under mild and transition metal free conditions, providing the target products in moderate to good yields. An O3-trifluoroethylated galactoside was also synthesized using iodonium salt chemistry. Azido-substituted products were subsequently transformed into the corresponding triazoles. After deprotection, a selection of galactoside derivatives were evaluated for inhibitory potencies against galectins-1, 3, 4 N (N-terminal domain), 4 C (C-terminal domain), 7, 8 N, 8 C, 9 N, and 9 C and one compound with promising affinity and selectivity for both the N- and C-terminal domain of galectin-9 was discovered. 相似文献