全文获取类型
收费全文 | 14151篇 |
免费 | 402篇 |
国内免费 | 150篇 |
专业分类
化学 | 8153篇 |
晶体学 | 124篇 |
力学 | 564篇 |
综合类 | 6篇 |
数学 | 2629篇 |
物理学 | 3227篇 |
出版年
2022年 | 110篇 |
2021年 | 229篇 |
2020年 | 297篇 |
2019年 | 275篇 |
2018年 | 270篇 |
2017年 | 210篇 |
2016年 | 363篇 |
2015年 | 294篇 |
2014年 | 346篇 |
2013年 | 922篇 |
2012年 | 644篇 |
2011年 | 768篇 |
2010年 | 527篇 |
2009年 | 459篇 |
2008年 | 667篇 |
2007年 | 598篇 |
2006年 | 549篇 |
2005年 | 517篇 |
2004年 | 495篇 |
2003年 | 399篇 |
2002年 | 364篇 |
2001年 | 240篇 |
2000年 | 198篇 |
1999年 | 166篇 |
1998年 | 133篇 |
1997年 | 157篇 |
1996年 | 169篇 |
1995年 | 153篇 |
1994年 | 151篇 |
1993年 | 171篇 |
1992年 | 170篇 |
1991年 | 170篇 |
1990年 | 126篇 |
1989年 | 133篇 |
1988年 | 138篇 |
1987年 | 191篇 |
1986年 | 159篇 |
1985年 | 217篇 |
1984年 | 203篇 |
1983年 | 161篇 |
1982年 | 179篇 |
1981年 | 191篇 |
1980年 | 181篇 |
1979年 | 183篇 |
1978年 | 174篇 |
1977年 | 177篇 |
1976年 | 149篇 |
1975年 | 167篇 |
1974年 | 133篇 |
1973年 | 129篇 |
排序方式: 共有10000条查询结果,搜索用时 515 毫秒
1.
2.
Pham Duy Khanh Tran Hong Mo Trinh T. T. Tran 《Numerical Functional Analysis & Optimization》2019,40(8):924-943
Necessary and sufficient conditions for qualitative properties of infinite dimensional linear programing problems such as solvability, duality, and complementary slackness conditions are studied in this article. As illustrations for the results, we investigate the parametric version of Gale’s example. 相似文献
3.
A milestone in probability theory is the law of the iterated logarithm (LIL), proved by Khinchin and independently by Kolmogorov in the 1920s, which asserts that for iid random variables with mean 0 and variance 1 In this paper we prove that LIL holds for various functionals of random graphs and hypergraphs models. We first prove LIL for the number of copies of a fixed subgraph H. Two harder results concern the number of global objects: perfect matchings and Hamiltonian cycles. The main new ingredient in these results is a large deviation bound, which may be of independent interest. For random k‐uniform hypergraphs, we obtain the Central Limit Theorem and LIL for the number of Hamilton cycles. 相似文献
4.
Ben Jadi S. El Guerraf A. Bazzaoui E.A. Wang R. Martins J.I. Bazzaoui M. 《Journal of Solid State Electrochemistry》2019,23(8):2423-2433
Journal of Solid State Electrochemistry - Due to their distinctive chemical, electronic, and environmental properties, polypyrrole is used as a blocking barrier for methanol leakage in direct... 相似文献
5.
Marwa Chaabene Soumaya Agren Abdul‐Rahman Allouche Mohamed Lahcinie Rafik Ben Chabane Mohamed Hassen V. Baouab 《应用有机金属化学》2019,33(11)
The novel compounds (E)‐2‐(((4‐hydroxyphenyl)imino)methyl)phenol, Tetraphenyl (hydroxyl) imidazole and their corresponding Boron difluoride complexes were synthesized and characterized by spectroscopic techniques. Density functional theory calculations at B3LYP‐D3/6–311++G (d, p) level of theory were performed for the geometric parameters. The MEP surface studies were used to understand the behavior of molecules in terms of charge transfer and to determine how these molecules interact. We used the GIAO and the B3LYP‐D3 with a 6–311++ G (d, p) basis set to simulate the (1H‐NMR and 19F‐NMR) and the IR spectra, respectively. The corresponding calculated results are in good agreement with the experimental data. The stability of the molecule arising from hyperconjugation interaction and charge delocalization were analyzed using NBO analysis. FMOs revealed the occurrence of charge transfer within the molecule. The complexation using BF3.Et2O was also found to have remarkable effects on the electrochemical properties of the studied molecules, where (b) and (d) present lower chemical stability, higher reactivity and higher polarizability than (a) and (c), respectively. Moreover, the energy gap of (a) and (c) decreased after complexation using BF3.Et2O, indicating the reliability of the electrochemical evaluation of LUMO and HOMO energy levels. These values are the factors explaining the possible charge transfer interaction within the molecule. The absorption and emission spectra of the model compound were also simulated and compared to experimental observations in the DMF solvent. The results of DFT calculations supported the structural and spectroscopic data and confirmed the structure modification of frontier molecular orbitals for BF2 complexes as well as tunable potentials and energy levels. 相似文献
6.
Maribel Rodríguez‐Aguilar Sofía Ramírez‐García Cesar Ilizaliturri‐Hernndez Alejandro Gmez‐Gmez Evelyn Van‐Brussel Fernando Díaz‐Barriga Susanna Medellín‐Garibay Rogelio Flores‐Ramírez 《Biomedical chromatography : BMC》2019,33(12)
An analytical method to identify volatile organic compounds (VOCs) in the exhaled breath from patients with a diagnosis of chronic obstructive pulmonary disease (COPD) using a ultrafast gas chromatography system equipped with an electronic nose detector (FGC eNose) has been developed. A prospective study was performed in 23 COPD patients and 33 healthy volunteers; exhalation breathing tests were performed with Tedlar bags. Each sample was analyzed by FCG eNose and the identification of VOCs was based on the Kovats index. Raw data were reduced by principal component analysis (PCA) and canonical discriminant analysis [canonical analysis of principal coordinates (CAP)]. The FCG eNose technology was able to identify 17 VOCs that distinguish COPD patients from healthy volunteers. At all stages of PCA and CAP the discrimination between groups was obvious. Chemical prints were correctly classified up to 82.2%, and were matched with 78.9% of the VOCs detected in the exhaled breath samples. Receiver operating characteristic curve analysis indicated the sensitivity and specificity to be 96% and 91%, respectively. This pilot study demonstrates that FGC eNose is a useful tool to identify VOCs as biomarkers in exhaled breath from COPD patients. Further studies should be performed to enhance the clinical relevance of this quick and ease methodology for COPD diagnosis. 相似文献
7.
Tuan Anh Pham 《International journal of quantum chemistry》2019,119(1):e25795
Understanding physicochemical properties of liquid electrolytes is essential for predicting and optimizing device performance for a wide variety of emerging energy technologies, including photoelectrochemical water splitting, supercapacitors, and batteries. In this work, we review recent progress and open challenges in predicting structural, dynamical, and electronic properties of the liquids using first-principles approaches. We briefly summarize the basic concepts of first-principles molecular dynamics (FPMD), and we discuss how FPMD methods have enriched our understanding of a number of liquids, including aqueous solutions, organic electrolytes and ionic liquids. We also discuss technical challenges in extending FPMD simulations to the study of liquid electrolytes in more complex environments, including the interface between electrolytes and electrodes, which is a key component in many energy storage and conversion systems. 相似文献
8.
Analysis Mathematica - We introduce and study the k-Hankel Gabor transform. We investigate the localization operators for this transform. In particular, we study their trace class properties and we... 相似文献
9.
10.
Ying Yu Hao Xing Zhicong Zhou Junkai Liu Herman H-YSung Ian D.Williams Jonathan E.Halpert Zheng Zhao Ben Zhong Tang 《中国科学:化学(英文版)》2022,65(1):135-144
Molecular interactions are crucial in diverse fields of protein folding,material science,nanotechnology,and life origins.Although mounting experimental research controls luminescent behavior by adjusting molecular interactions in light-emitting materials,it remains elusive to correlate microscopic molecular interactions with macroscopic luminescent behavior directly.Here,we synthesized three red luminogens with subtle structural variation and investigated the influence of molecular interactions on their luminescent behavior in solution and aggregate states.Our results indicate that strongπ-πand D-A interactions in both dilute solution(between luminogen and solvent molecules)and aggregate(between luminogens)states cause the redshift in emission,while weak interactions(e.g.,Van der Waals,C–H…π,and C–H…F interactions)enhance the quantum yield.This work provides a thoughtful investigation into the complicated influence of various molecular interactions on luminescent behavior. 相似文献