全文获取类型
收费全文 | 1517篇 |
免费 | 75篇 |
国内免费 | 24篇 |
专业分类
化学 | 1089篇 |
晶体学 | 10篇 |
力学 | 89篇 |
数学 | 190篇 |
物理学 | 238篇 |
出版年
2024年 | 2篇 |
2023年 | 13篇 |
2022年 | 55篇 |
2021年 | 74篇 |
2020年 | 54篇 |
2019年 | 77篇 |
2018年 | 82篇 |
2017年 | 55篇 |
2016年 | 80篇 |
2015年 | 62篇 |
2014年 | 111篇 |
2013年 | 164篇 |
2012年 | 118篇 |
2011年 | 113篇 |
2010年 | 77篇 |
2009年 | 61篇 |
2008年 | 68篇 |
2007年 | 71篇 |
2006年 | 50篇 |
2005年 | 45篇 |
2004年 | 23篇 |
2003年 | 21篇 |
2002年 | 13篇 |
2001年 | 8篇 |
2000年 | 15篇 |
1999年 | 7篇 |
1998年 | 3篇 |
1997年 | 6篇 |
1996年 | 2篇 |
1995年 | 4篇 |
1994年 | 2篇 |
1993年 | 4篇 |
1992年 | 3篇 |
1991年 | 5篇 |
1990年 | 4篇 |
1989年 | 4篇 |
1988年 | 3篇 |
1987年 | 6篇 |
1986年 | 2篇 |
1985年 | 7篇 |
1984年 | 6篇 |
1983年 | 9篇 |
1982年 | 3篇 |
1981年 | 6篇 |
1978年 | 3篇 |
1977年 | 2篇 |
1976年 | 2篇 |
1975年 | 2篇 |
1968年 | 2篇 |
1936年 | 1篇 |
排序方式: 共有1616条查询结果,搜索用时 15 毫秒
71.
Sayahi Mohammad Hosein Saghanezhad Seyyed Jafar Mahdavi Mohammad 《Research on Chemical Intermediates》2018,44(1):739-747
Research on Chemical Intermediates - A novel four-component approach for the synthesis of 1-phenyl-1,4-dihydro-2H-9-oxa-4-aza-phenanthrene-3,10-dione derivatives has been presented via the reaction... 相似文献
72.
Nonlinear Dynamics - In this paper, the dynamic stability of a simply supported beam excited by the transition of circulating masses is investigated by preserving nonlinear terms in the analysis.... 相似文献
73.
74.
Hadi Amiri Amir Charkhi Mohammad Ali Moosavian Seyyed Javad Ahmadi Hamed Nourian 《Chemical Papers》2017,71(9):1587-1596
The polydimethylsiloxane (PDMS) mixed matrix membrane with dispersed phase of nanozeolite silicalite-1 has been synthesized on polyethersulphone (PES) as a support, and its performance in the gas separation of xenon and krypton has been studied. For this purpose, nanozeolite silicalite-1 is synthesized by the hydrothermal clear solution method and is characterized by XRD and SEM analysis. In this research, the separation performance of MMM has also been compared with the polymeric PDMS membrane. Furthermore, the effect of feed pressure and loading percentage of nanozeolite in the polymeric matrix are evaluated. The results indicate that the addition of nanozeolite to the polymeric matrix improves its separation performance, and that the changes of the feed pressure have no major effect. The average permeability of the krypton and xenon gases through the PDMS polymeric membrane is calculated as 1.25 × 10?9 and 1.78 × 10?9 cm mol/(cm2 s kPa), respectively, while by adding only 5 wt% of nanosilicalite-1 to the polymeric matrix of the membrane, this amount increased to 1.82 × 10?9 and 8.07 × 10?9 cm mol/(cm2 s kPa), respectively. In addition, the presence of nanosilicalite-1 as the filler leads to an increase in the selectivity of xenon to krypton up to 4.38. 相似文献
75.
Davood Nori-Shargh Daryoush Tahmassebi Mahboobeh Poukalhor Mostafa Mohammadpour Amini Saeed Jameh-Bozorghi Farzad Deyhimi 《Phosphorus, sulfur, and silicon and the related elements》2013,188(10):2419-2434
Ab initio molecular orbital and density functional theory were used to investigate energetic and structural properties of the various conformations of hexa-tertbutylbenzene (1), hexakis(trimethylsilyl)benzene (2), hexakis (trimethylgermyl)benzene (3), and hexakis(trimethylstannyl)benzene (4). HF/3-21G//HF/3-21G and B3LYP/3-21G//HF/3-21G results revealed that the Twist-Boat (TB) conformer of compound 1 is more stable than the 1-Chair (C), 1-Boat (B), and 1-Planar (P) conformers. B3LYP/3-21G//HF/3-21G results show that the 1- TB conformer is more stable than 1- C, 1- B, and 1- P conformers of about 1.13, 4.34, and 99.94 kcal mol?1 , respectively. Contrary to the stability order of compound 1 conformers, the C conformer of compounds 2–4 is more stable than TB, B, and P conformations, as calculated by B3LYP/3-21G//HF/3-21G and HF/3-21G//HF/3-21G levels of theory. The energy gap between the C and P conformers in compounds 1–4 is decreased in the following order: ΔE(4: C, P) < ΔE (3: C, P) < ΔE(2: C, P) < ΔE (1: C, P). This fact can be explained in terms of the increase of C aromatic -M (M═C, Si, Ge, and Sn) bond lengths and the decrease of steric (van der Waals) repulsions in the previously discussed compounds. For compounds 1–3, the calculations were also performed at the B3LYP/ 6-31G*//HF/3-21G level of theory. However, the comparison showed that the results at B3LYP/3-21G//HF/3-21G methods correlated well with those obtained at the B3LYP/6-31G*// HF/6-31G method. Further, NBO analysis revealed that in compounds 1–4, the resonance energy associated with the σM-C1 to σ*C2-C3 delocalization is 5.20, 9.68, 11.15, and 12.27 kcal mol?1, respectively. These resonance energy values could explain the easiness of the ring flipping processes of C, B, and TB conformers of compounds 4 to 1. Also, the NBO results showed that by an increase of the σM-C1 → σ *C2-C3 resonance energies in compounds 1–4, the σM-C1 bonding orbital occupancies decrease. This fact could fairly explain the increase of the Caryl-M bond length from compound 1 to 4. The NBO results are also in good agreement with the calculated energy barriers for the ring flipping of the chair conformations in compounds 1–4, as calculated by B3LYP and HF methods. 相似文献
76.
Fawzy A. Attaby Mostafa M. Ramla T. Harukuni 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):2956-2967
1,2,3,4-Tetrahydropyrimidine-2-thiones 4a–n were synthesized through the reaction of aromatic aldehydes 1a–n , ethyl acetoacetate (2) and thiourea ( 3) . The structures of all newly synthesized heterocyclic compounds elucidated by the use of IR, 1H NMR, mass spectra, and elemental analyses. The inhibitory activity against the Epstein-Barr Virus early antigen (EBA-VA) of all newly synthesized heterocyclic compounds were evaluated. 相似文献
77.
Taibi Ben Hadda Fatim Z. Khardli Mostafa Mimouni Maria Daoudi Abdelali Kerbal Héctor Salgado-Zamora 《Phosphorus, sulfur, and silicon and the related elements》2013,188(6):753-761
AbstractA series of four different armed heterocyclic candidates; 1-(2-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)acetone (2), 1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethanone (3), 2-[(2-aminophenyl)dithio]aniline (4), and 3-hydroxy-3-methyl-4-(3-methyl-2-quinoxalinyl)-2-butanone (5) have been prepared and their microbial activities were evaluated. A correlation of the structure and activities relationships of these compounds with respect to molecular modeling, Lipinski Rule of Five, drug likeness, toxicity profiles, and other physico-chemical properties of drugs are described and verified experimentally. 相似文献
78.
Nasser M. Hosny Farid I. El-Dossoki Mohsen M. Mostafa 《Phosphorus, sulfur, and silicon and the related elements》2013,188(2):402-410
New metal complexes derived from the reaction of N-[(phenylamino)thioxomethyl] hydrazino carbonyl methyl pyridinium chloride (H2L; PTHMPC) with some metal salts of the general formula MX2 [(X = Cl? and/or CH3COO?; M = Cd(II), UO2(II), Mn(II) and Zr(IV)] were synthesized and characterized by elemental analyses, spectral analyses (IR, UV-vis., 1H NMR), thermal analyses (TGA, DTG), and conductance and magnetic measurements. The results showed that the ligand exists in metal complexes either in the keto form or in the enol form. Moreover, the IR spectral data suggest that the acetate ion behaves in a monodentate manner. Semi-empirical calculations ZINDO/1, PM3, and AM1 have been used to study the molecular geometry and the harmonic vibrational spectra of the ligand and its metal complexes with the purpose of assisting the experimental assignment of the complexes. Generally, there is an agreement between the observed and the calculated spectra. Finally, the thermodynamic parameters (ΔE*, ΔH, ΔG, and ΔS) have been calculated from the data of thermal analyses (TGA and DTG). Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. 相似文献
79.
Hossein Farsi Seyyed Amirhossein Hosseini 《Journal of Solid State Electrochemistry》2013,17(7):2079-2086
A simple coprecipitation method was used for preparation of monoclinic nanostructured NiWO4 from an aqueous solution at a fixed pH and temperature of 7.0 and 80 °C, respectively. The prepared material was characterized by X-ray diffraction, scanning electron microscopy, photoluminescence spectroscopy, and electrochemical measurements. Nano-NiWO4 was incorporated into a carbon paste electrode and by means of cyclic voltammetry; the electrochemical behavior of methylene blue on the surface of nano-NiWO4 was investigated. A mechanism on terms of obtained cyclic voltammograms showing one reduction peak and two sequential oxidation peaks was suggested by emphasizing on the stabilizing role of nano-NiWO4 for semi-methylene blue. A diffusion coefficient of 5.30?×?10?6 cm2/s was gained for methylene blue. 相似文献
80.
Mostafa Mesgar Dr. Payam Kaghazchi Prof. Dr. Timo Jacob Dr. Ernesto Pichardo‐Pedrero Dr. Margret Giesen Dr. Ernesto Pichardo‐Pedrero Dr. Margret Giesen Prof. Dr. Harald Ibach Dr. Noelia B. Luque Prof. Dr. Wolfgang Schmickler 《Chemphyschem》2013,14(1):233-236
Motivated by experimental studies of two‐dimensional Ostwald ripening on Au(100) electrodes in chlorine‐containing electrolytes, we have studied diffusion processes using density functional theory. We find that chlorine has a propensity to temporary form AuCl complexes, which diffuse significantly faster than gold adatoms. With and without chlorine, the lowest activation energy is found for the exchange mechanism. Chlorine furthermore reduces the activation energy for the detachment from kink sites. Kinetic Monte Carlo simulations were performed on the basis of extensive density functional theory calculations. The island‐decay rate obtained from these Monte Carlo simulations, as well as the decay rate obtained from the theoretical activation energies and frequency factors when inserted into analytical solutions for Ostwald ripening, are in agreement with experimental island‐decay rates in chlorine‐containing electrolytes. 相似文献