全文获取类型
收费全文 | 1026篇 |
免费 | 31篇 |
国内免费 | 5篇 |
专业分类
化学 | 758篇 |
晶体学 | 11篇 |
力学 | 18篇 |
数学 | 49篇 |
物理学 | 226篇 |
出版年
2023年 | 6篇 |
2022年 | 8篇 |
2021年 | 11篇 |
2020年 | 14篇 |
2019年 | 14篇 |
2018年 | 13篇 |
2016年 | 24篇 |
2015年 | 15篇 |
2014年 | 22篇 |
2013年 | 54篇 |
2012年 | 48篇 |
2011年 | 76篇 |
2010年 | 31篇 |
2009年 | 35篇 |
2008年 | 57篇 |
2007年 | 73篇 |
2006年 | 77篇 |
2005年 | 75篇 |
2004年 | 64篇 |
2003年 | 51篇 |
2002年 | 62篇 |
2001年 | 11篇 |
2000年 | 13篇 |
1999年 | 16篇 |
1998年 | 13篇 |
1997年 | 11篇 |
1996年 | 9篇 |
1995年 | 16篇 |
1994年 | 7篇 |
1993年 | 7篇 |
1992年 | 5篇 |
1991年 | 7篇 |
1990年 | 2篇 |
1989年 | 3篇 |
1988年 | 9篇 |
1987年 | 6篇 |
1986年 | 6篇 |
1985年 | 8篇 |
1984年 | 11篇 |
1983年 | 7篇 |
1982年 | 5篇 |
1981年 | 10篇 |
1980年 | 6篇 |
1979年 | 12篇 |
1978年 | 6篇 |
1977年 | 4篇 |
1976年 | 2篇 |
1975年 | 4篇 |
1974年 | 8篇 |
1973年 | 2篇 |
排序方式: 共有1062条查询结果,搜索用时 15 毫秒
71.
Makoto Hatakeyama Takako Mashiko Hisanao Hazama Kunio Awazu Masanori Tachikawa 《International journal of quantum chemistry》2013,113(2):125-129
To investigate the correlation between the wavelength dependence of ionization threshold fluence of target molecule in matrix‐assisted laser desorption/ionization by infrared (IR) laser and the IR absorption spectrum of matrix molecule, we have analyzed the IR absorption spectra of four matrix molecules using density functional theory and correlated ab initio molecular orbital method. The calculated IR absorption spectra of the isolated molecules showed more qualitative correlation with the wavelength dependence of ionization threshold fluence than those of the solid state structures. We can consider that a portion of matrix molecules lost the ordered crystal structure and that the transition to the diluted or isolated state occurred at the early process of IR laser irradiation. © 2012 Wiley Periodicals, Inc. 相似文献
72.
A mechanistic study was carried out for the asymmetric Michael addition reaction of malonates to enones catalyzed by a primary amino acid lithium salt to elucidate the origin of the asymmetric induction. A primary β-amino acid salt catalyst, O-TBDPS β-homoserine lithium salt, exhibited much higher enantioselectivity than that achieved with the corresponding catalysts derived from α- and γ-amino acids for this reaction. Detailed studies of the transition states with DFT calculations revealed that the lithium cation and carboxylate group of the β-amino acid salt catalyst have important roles in achieving high enantioselectivity in the Michael addition reaction of malonates to enones. 相似文献
73.
Yutaka Kubota Yuri Kaneda Kazuhiro Haraguchi Mirei Mizuno Hiroshi Abe Satoshi Shuto Takayuki Hamasaki Masanori Baba Hiromichi Tanaka 《Tetrahedron》2013
The key glycosyl donor for the target molecule 12 was prepared by two-step sequences; (1) acetalization of tert-butyldimethylsilyloxyacetaldehyde with 3-bromopropanediol, (2) DBN-initiated β-elimination of the resulting 2-(tert-butyldimethylsilyloxy)methyl-4-bromomethyl-1,3-dioxolane 11. Electrophilic glycosidation between 12 and silylated pyrimidine nucleobase proceeded efficiently to provide a mixture of β- and α-anomers of the respective glycosides 14 and 15. Tin radical-mediated reduction of the bromomethyl functional group of 14 and 15 gave protected 4′-C-methyl-dioxorane uracil- 16 and thymine nucleoside 17. The respective cytosine nucleoside 18 was synthesized from 16. De-silylation of 4′-methyl-1′,3′-dioxolane pyrimidine nucleosides 16–18 gave the target molecules. Evaluation of the anti-HIV-1 activity of the β- and α-anomers of the novel 4′-C-methyl-1′,3′-dioxolane nucleosides 22β,α–24β,α revealed that none of the nucleoside derivatives possess anti-viral activity against HIV-1 and show cytotoxicity against MT-4 cells at 100 μM. 相似文献
74.
Masashi Daido Yukio Kawashima Masanori Tachikawa 《Journal of computational chemistry》2013,34(28):2403-2411
The structure of Watson–Crick‐type adenine‐thymine and guanine‐cytosine pairs has been studied by hybrid Monte Carlo (HMC) and path integral hybrid Monte Carlo (PIHMC) simulations with the use of semiempirical PM6‐DH+ method in the gas phase. We elucidated the nuclear quantum effect and temperature dependency on the hydrogen‐bonded moiety of base pairs. It was shown that the contribution of nuclear quantum effect on the hydrogen‐bonded structure is significant not only at low temperature 150 K but also at temperature as high as 450 K. The relative position of hydrogen‐bonded proton between two heavy atoms and the nuclear quantum nature of the proton are also shown. Furthermore, we have applied principal component analysis to HMC and PIHMC simulations to analyze the nuclear quantum effect on intermolecular motions. We found that the ratio of Buckle mode (lowest vibrational mode from normal mode analysis) decreases due to the nuclear quantum effect, whereas that of Propeller mode (second lowest vibrational mode) increases. In addition, nonplanar structures of base pairs were found to become stable due to the nuclear quantum effect from two‐dimensional free energy landscape along Buckle and Propeller modes. © 2013 Wiley Periodicals, Inc. 相似文献
75.
Development of a New Benzylating Reagent Spontaneously Releasing Benzyl Cation Equivalents at Room Temperature
下载免费PDF全文
![点击此处可从《Chemistry (Weinheim an der Bergstrasse, Germany)》网站下载免费的PDF全文](/ch/ext_images/free.gif)
Dr. Kohei Yamada Yuichi Tsukada Yukiko Karuo Dr. Masanori Kitamura Prof. Dr. Munetaka Kunishima 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(38):12274-12278
A new O‐benzylating reagent, that is, 4‐(4,6‐diphenoxy‐1,3,5‐triazin‐2‐yl)‐4‐benzylmorpholinium trifluoromethanesulfonate (DPT‐BM), has been developed. Benzyl cation equivalents are generated from DPT‐BM by dissolving the compound in a solvent at room temperature under non‐acidic conditions. The benzylation of various alcohols by using a combination of DPT‐BM and magnesium oxide provided the benzyl ethers in good yields. 相似文献
76.
Dr. Arlin Jose Amali Dr. Hideto Hoshino Dr. Chun Wu Dr. Masanori Ando Prof. Qiang Xu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(27):8279-8282
Highly photoluminescent carbon nanodots (CNDs) were synthesized for the first time from metal–organic framework (MOF, ZIF‐8) nanoparticles. Coupled with fluorescence and non‐toxic characteristics, these carbon nanodots could potentially be used in biosafe color patterning. 相似文献
77.
78.
79.
Shigehiro Hirano Ko-Ichi Yamamoto Hiroshi Inui Ming Ji Min Zhang 《Macromolecular Symposia》1996,105(1):149-154
The following dry composite beads (diameter 1.0-1-2 mm) were prepared: chitin-CaCO3, chitosan-CaCl2. chitosan-CuCl2, partially N-acetylated chitosan-CuCl2, chitosan-CuSO4, chitosan-Fe3O4, chitin-SiO2. Each of chitosan-CuCl2, chitosan-CuSO4 and chitin-CaCl2 composite beads was treated in aqueous K2CO3 at room temperature to afford a mixture of metal carbonates and hydroxides on chitin or chitosan chain. 相似文献
80.
Masanori Miura Takanori Koike Tsukasa Ishihara Fukushi Hirayama Shuichi Sakamoto Minoru Okada 《合成通讯》2013,43(24):3809-3820
A one‐pot synthetic procedure for 2,2′‐disubstituted biaryls was developed via a Suzuki cross‐coupling reaction of aryl triflates in a biphasic solvent system. The effects of various bases and solvents were investigated. Results showed that the Na2CO3–toluene/H2O combination gave the highest yields. 相似文献