全文获取类型
收费全文 | 1503篇 |
免费 | 76篇 |
国内免费 | 15篇 |
专业分类
化学 | 1014篇 |
晶体学 | 3篇 |
力学 | 52篇 |
数学 | 243篇 |
物理学 | 282篇 |
出版年
2024年 | 2篇 |
2023年 | 22篇 |
2022年 | 60篇 |
2021年 | 81篇 |
2020年 | 48篇 |
2019年 | 47篇 |
2018年 | 21篇 |
2017年 | 30篇 |
2016年 | 83篇 |
2015年 | 56篇 |
2014年 | 64篇 |
2013年 | 75篇 |
2012年 | 93篇 |
2011年 | 106篇 |
2010年 | 64篇 |
2009年 | 65篇 |
2008年 | 78篇 |
2007年 | 67篇 |
2006年 | 91篇 |
2005年 | 86篇 |
2004年 | 68篇 |
2003年 | 48篇 |
2002年 | 49篇 |
2001年 | 27篇 |
2000年 | 18篇 |
1999年 | 13篇 |
1998年 | 7篇 |
1997年 | 5篇 |
1996年 | 18篇 |
1995年 | 10篇 |
1994年 | 10篇 |
1993年 | 10篇 |
1992年 | 7篇 |
1991年 | 4篇 |
1990年 | 7篇 |
1988年 | 6篇 |
1987年 | 2篇 |
1986年 | 4篇 |
1985年 | 6篇 |
1984年 | 6篇 |
1983年 | 3篇 |
1982年 | 5篇 |
1981年 | 2篇 |
1980年 | 5篇 |
1979年 | 7篇 |
1976年 | 1篇 |
1966年 | 1篇 |
1908年 | 2篇 |
1900年 | 1篇 |
1870年 | 1篇 |
排序方式: 共有1594条查询结果,搜索用时 6 毫秒
61.
Journal of Computer-Aided Molecular Design - We systematically tested the Autodock4 docking program for absolute binding free energy predictions using the host-guest systems from the recent SAMPL6,... 相似文献
62.
Electrochemically Generated Nanoparticles of Halogen‐Bridged Mixed‐Valence Binuclear Metal Complex Chains 下载免费PDF全文
Emiliano Martínez‐Periñán Mohammad‐Reza Azani Dr. José M. Abad Dr. Eva Mateo‐Martí Dr. Félix Pariente Dr. Rubén Mas‐Ballesté Dr. Félix Zamora Prof. Encarnación Lorenzo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(23):7107-7115
Spherical nanoparticles composed of MMX chains can be made by a polymerization strategy driven by electrochemical processes. In particular, the [Pt2(MeCS2)4I2] (MMI2) dimetal subunit is employed as a monomer for the formation of [Pt2(MeCS2)4I]n spherical nanostructures on surfaces. We have paid particular attention to elucidating the general mechanism of the deposition process on the basis of in situ electrochemical measurements. The reduction of MMI2 to give the electrodeposition of nanostructures agrees well with formation of the reduced [MMI2]? species followed by a disproportionation mechanism mediated by iodide anions. The chemical composition of the particles was determined by energy‐dispersive X‐ray spectroscopy (EDX) and X‐ray photoelectron spectroscopy (XPS) to reveal the MMI2 polymer. 相似文献
63.
Sequential Rhodium/Palladium Catalysis: Enantioselective Formation of Dihydroquinolinones in the Presence of Achiral and Chiral Ligands 下载免费PDF全文
Lei Zhang Zafar Qureshi Lorenzo Sonaglia Prof. Dr. Mark Lautens 《Angewandte Chemie (International ed. in English)》2014,53(50):13850-13853
Compatible combinations of achiral and chiral ligands can be used in rhodium/palladium catalysis to achieve highly enantioselective domino reactions. The difference in rates of catalysis and minimal effects of ligand interference confer control in the domino sequence. The “all‐in‐one” 1,4‐conjugate arylation and C? N cross‐coupling through sequential Rh/Pd catalysis provides access to enantioenriched dihydroquinolinone building blocks. 相似文献
64.
Electronic and Structural Properties of Highly Aluminum Ion Doped TiO2 Nanoparticles: A Combined Experimental and Theoretical Study 下载免费PDF全文
Desireé M. de los Santos Teresa Aguilar Dr. Antonio Sánchez‐Coronilla Dr. Javier Navas Dr. Norge Cruz Hernández Dr. Rodrigo Alcántara Dr. Concha Fernández‐Lorenzo Prof.Dr. Joaquín Martín‐Calleja 《Chemphyschem》2014,15(11):2267-2280
This study presents the experimental and theoretical study of highly internally Al‐doped TiO2 nanoparticles. Two synthesis methods were used and detailed characterization was performed. There were differences in the doping and the crystallinity, but the nanoparticles synthesized with the different methods share common features. Anatase to rutile transformation occurred at higher temperatures with Al doping. X‐ray photoelectron spectroscopy showed the generation of oxygen vacancies, which is an interesting feature in photocatalysis. In turn, the band‐gap energy and the valence band did not change appreciably. Periodic density functional calculations were performed to model the experimentally doped structures, the formation of the oxygen vacancies, and the band gap. Calculation of the density of states confirmed the experimental band‐gap energies. The theoretical results confirmed the presence of Ti4+ and Al3+. The charge density study and electron localization function analysis indicated that the inclusion of Al in the anatase structure resulted in a strengthening of the Ti?O bonds around the vacancy. 相似文献
65.
Inside Cover: Quinone‐Rich Poly(dopamine) Magnetic Nanoparticles for Biosensor Applications (ChemPhysChem 17/2014) 下载免费PDF全文
66.
Maria Laura Di Lorenzo Paolo Rubino Romain Luijkx Marion Hélou 《Colloid and polymer science》2014,292(2):399-409
The influence of chain structure on crystal polymorphism of poly(lactic acid) (PLA) with high l-lactic acid content (97.8–100 %) is detailed in this contribution. Upon usual processing conditions of PLA, only α and α′ crystals grow, which makes these two polymorphs of major interest for research. The two crystal modifications have similar chain packing, which complicates their quantitative analysis by diffraction methods. The two crystal modifications are instead easily identified by analysis of the crystallization kinetics, which varies not only with temperature, but also with crystal polymorphism. The dependence of the rate of ordering on temperature shows two distinct maxima around 105–110 and 120–125 °C, which are related to growth of α′ and α crystals, respectively. Addition of d-lactic acid co-units leads to a decrease of the overall crystallization rate of PLA, as well as of the rate of spherulite growth (G) of both the crystal modifications. The relative crystallization rates of α and α′ forms are highly affected by stereoregularity, especially in the PLA grades that have a high crystallization rate. A high d-lactic acid content results not only in an overall slower crystal growth, but also in a varied temperature range where each of the two crystal modifications prevail, with a shift to lower temperatures of both the maxima of the G vs. temperature plots, indicating that inclusion of d-lactic acid units in the PLA chain affects crystallization rate of both α and α′ crystal modifications. 相似文献
67.
Marta Martino Andrea Salvadori Federico Lazzari Lorenzo Paoloni Surajit Nandi Giordano Mancini Vincenzo Barone Sergio Rampino 《Journal of computational chemistry》2020,41(13):1310-1323
The virtual-reality framework AVATAR (Advanced Virtual Approach to Topological Analysis of Reactivity) for the immersive exploration of potential-energy landscapes is presented. AVATAR is based on modern consumer-grade virtual-reality technology and builds on two key concepts: (a) the reduction of the dimensionality of the potential-energy surface to two process-tailored, physically meaningful generalized coordinates, and (b) the analogy between the evolution of a chemical process and a pathway through valleys (potential wells) and mountain passes (saddle points) of the associated potential energy landscape. Examples including the discovery of competitive reaction paths in simple A + BC collisional systems and the interconversion between conformers in ring-puckering motions of flexible rings highlight the innovation potential that augmented and virtual reality convey for teaching, training, and supporting research in chemistry. 相似文献
68.
Dr. Alessandro Presentato Dr. Antonino Scurria Dr. Lorenzo Albanese Dr. Claudia Lino Dr. Marzia Sciortino Dr. Mario Pagliaro Dr. Federica Zabini Dr. Francesco Meneguzzo Prof. Rosa Alduina Dr. Domenico Nuzzo Dr. Rosaria Ciriminna 《ChemistryOpen》2020,9(5):628-630
Pectin extracted via hydrodynamic cavitation in water only from waste lemon peel and further isolated via freeze drying displays significant antibacterial activity against Staphylococcus aureus, a Gram positive pathogen which easily contaminates food. The antibacterial effect of the new IntegroPectin is largely superior to that of commercial citrus pectin, opening the way to advanced applications of a new bioproduct now obtainable in large amounts and at low cost from citrus juice industry's waste. 相似文献
69.
Eleonora Truzzi Mohamed Aymen Chaouch Gaia Rossi Lorenzo Tagliazucchi Davide Bertelli Stefania Benvenuti 《Molecules (Basel, Switzerland)》2022,27(5)
The main focus of the current research was the characterization of the by-products from the steam distillation of Lavandula angustifolia Mill. (LA) and Lavandula x intermedia Emeric ex Loisel (LI) aerial parts, as they are important sources of bioactive compounds suitable for several applications in the food, cosmetic, and pharmaceutical industries. The oil-exhausted biomasses were extracted and the total polyphenol and flavonoid contents were, respectively, 19.22 ± 4.16 and 1.56 ± 0.21 mg/g for LA extract and 17.06 ± 3.31 and 1.41 ± 0.10 mg/g for LI extract. The qualitative analysis by liquid chromatography-electrospray tandem mass spectrometry (HPLC-ESI-MS) revealed that both the extracts were rich in phenolic acids and glycosylated flavonoids. The extracts exhibited radical scavenging, chelating, reducing activities, and inhibitory capacities on acetylcholinesterase and tyrosinase. The IC50 values against acetylcholinesterase and tyrosinase were, respectively, 5.35 ± 0.47 and 5.26 ± 0.02 mg/mL for LA, and 6.67 ± 0.12 and 6.56 ± 0.16 mg/mL for LI extracts. In conclusion, the oil-exhausted biomasses demonstrated to represent important sources of bioactive compounds, suitable for several applications in the food, cosmetic, and pharmaceutical industries. 相似文献
70.
Eric Mayer-Santos Tatjana Maravic Allegra Comba Patricia Moreira Freitas Giovanna Bueno Marinho Claudia Mazzitelli Edoardo Mancuso Nicola Scotti Federica Florenzano Lorenzo Breschi Annalisa Mazzoni 《Molecules (Basel, Switzerland)》2022,27(5)
This study aimed to investigate matrix metalloproteinase (MMP) activity in human dentin using in-situ and gelatin zymography, after at-home and in-office bleaching, related to their clinical exposure times. Dentin specimens (n = 5) were treated with 35% hydrogen peroxide (50 min per session/4 sessions), 10% carbamide peroxide (180 min/21 sessions), or no treatment. All were subjected to in-situ zymography. Dentin slices were, subsequently, obtained, covered with fluorescein-conjugated gelatin, and examined with confocal laser-scanning microscopy. The fluorescence intensity was quantified and statistically analyzed using one-way ANOVA and Bonferroni tests (α = 0.05). Furthermore, gelatin zymography was performed on protein extracts obtained from dentin powder (N = 8 teeth), treated with hydrogen peroxide or carbamide peroxide, with different exposure times (10/50 min for hydrogen peroxide; 252/1260 min for carbamide peroxide). The results of the in-situ zymography showed no statistical differences between the bleached specimens and the control group, with a medium level of gelatinolytic activity expressed in the dentin tubules. The results of gelatin zymography showed an increased expression of pro-MMP-9 in carbamide peroxide groups. The expression of pro-MMP-2 decreased in all the experimental groups. The bleaching treatments performed on the enamel of sound teeth do not influence dentinal enzymatic activity. However, when unprotected dentin tissue is bleached, matrix metalloproteinases are more expressed, particularly when carbamide peroxide is used, proportional to the exposure time. 相似文献