全文获取类型
收费全文 | 928篇 |
免费 | 12篇 |
国内免费 | 4篇 |
专业分类
化学 | 728篇 |
晶体学 | 7篇 |
力学 | 8篇 |
数学 | 38篇 |
物理学 | 163篇 |
出版年
2021年 | 11篇 |
2020年 | 8篇 |
2019年 | 9篇 |
2018年 | 8篇 |
2015年 | 7篇 |
2014年 | 16篇 |
2013年 | 26篇 |
2012年 | 34篇 |
2011年 | 36篇 |
2010年 | 34篇 |
2009年 | 26篇 |
2008年 | 36篇 |
2007年 | 46篇 |
2006年 | 54篇 |
2005年 | 60篇 |
2004年 | 49篇 |
2003年 | 31篇 |
2002年 | 41篇 |
2001年 | 22篇 |
2000年 | 24篇 |
1999年 | 17篇 |
1998年 | 7篇 |
1997年 | 6篇 |
1996年 | 18篇 |
1995年 | 13篇 |
1994年 | 9篇 |
1993年 | 7篇 |
1992年 | 17篇 |
1991年 | 15篇 |
1990年 | 20篇 |
1989年 | 7篇 |
1988年 | 12篇 |
1987年 | 8篇 |
1986年 | 10篇 |
1985年 | 7篇 |
1984年 | 13篇 |
1983年 | 8篇 |
1982年 | 11篇 |
1981年 | 9篇 |
1980年 | 8篇 |
1979年 | 9篇 |
1978年 | 10篇 |
1977年 | 8篇 |
1976年 | 7篇 |
1975年 | 9篇 |
1974年 | 15篇 |
1973年 | 19篇 |
1972年 | 7篇 |
1970年 | 9篇 |
1968年 | 9篇 |
排序方式: 共有944条查询结果,搜索用时 0 毫秒
11.
The complete structure of palytoxin (1) was elucidated by us in 1982.1 Our continuous interests in palytoxin led us to examine minor constituents of Okinawan Palythoa tuberculosa. In this paper, we describe successful isolation and structural elucidation of four minor toxins, which were named homopalytoxin (2), bishomopalytoxin (3), neopalytoxin (4) and deoxypalytoxin (5). 相似文献
12.
13.
Hirata S 《The Journal of chemical physics》2005,122(9):094105
Complete third-order and partial fourth-order Rayleigh-Schrodinger perturbation corrections to excitation energies from configuration interaction singles (CIS) have been derived and termed CIS(3) and CIS(4)(P). They have been implemented by the automated system TENSOR CONTRACTION ENGINE into parallel-execution programs taking advantage of spin, spatial, and index permutation symmetries and applicable to closed- and open-shell molecules. The consistent use of factorization, first introduced by Head-Gordon et al. in the second-order correction to CIS denoted CIS(D), has reduced the computational cost of CIS(3) and CIS(4)(P) from O(n(8)) and O(n(6)) to O(n(6)) and O(n(5)), respectively, with n being the number of orbitals. It has also guaranteed the size extensivity of excited-state energies of these methods, which are in turn the sum of size-intensive excitation energies and the ground-state energies from the standard M?ller-Plesset perturbation theory at the respective orders. The series CIS(D), CIS(3), and CIS(4)(P) are usually monotonically convergent at values close to the accurate results predicted by coupled-cluster singles and doubles (CCSD) with a small fraction of computational costs of CCSD for predominantly singly excited states characterized by a 90%-100% overlap between the CIS and CCSD wave functions. When the overlap is smaller, the perturbation theory is incapable of adequately accounting for the mixing of the CIS states through higher-than-singles sectors of the Hamiltonian matrix, resulting in wildly oscillating series with often very large errors in CIS(4)(P). Hence, CIS(3) and CIS(4)(P) have a rather small radius of convergence and a limited range of applicability, but within that range they can be an inexpensive alternative to CCSD. 相似文献
14.
In order to investigate the interactions of poly(2-diethylaminoethyl methacrylate) (PDEAEMA) with methyl orange and its homologs in solution, temperature dependence of the complex formation has been examined in detail by the measurements of transmittance and specific conductance for the systems. Furthermore, the binding course of dyes to PDEAEMA has been studied on the basis of thermodynamic parameters obtained from equilibrium dialysis experiments at different temperatures. It was observed that the flocculation process shifted to lower dye concentrations in accordance with increasing hydrophobicity of the dyes in the order, methyl orange < ethyl orange < butyl orange, and the process of complex formation was characterized by three separate regions according to the slope of specific conductivity-mixing ratio curve for mixtures of PDEAEMA and dye. The temperature dependences of F,H and S suggest that, for dyes-PDEAEMA complex formation, the hydrophobic interaction is predominant at a low temperature but the electrostatic interaction becomes important as the temperature increases. 相似文献
15.
K Takayama M Hirata Y Machida T Masada T Sannan T Nagai 《Chemical & pharmaceutical bulletin》1990,38(7):1993-1997
The bioadhesion property of tablets consisting of chitosan (CS) and sodium hyaluronate (HA) was investigated using a lyophilized porcine dermis as a model of mucous membrane. Release phenomena of brilliant blue FCF (BBL) from the CS-HA tablets were also studied. BBL was employed as a model compound of water-soluble drugs. Strong adhesion forces were observed when the tablets were prepared from HA alone or a physical mixture of CS and HA. The adhesion of CS tablets was also obtained but it was rather weak. No effect of pH values in the media was observed on the adhesion force in these tablets. On the other hand, the release rate of BBL from CS-HA tablets was greatly affected by the change of the polymer mixing ratio, suggesting a possible interaction between CS and HA in the tablet following water penetration into the tablet. 相似文献
16.
Y. Kobayashi K. Hirata Y. Ujihira K. Itoh 《Journal of Radioanalytical and Nuclear Chemistry》1996,210(2):525-531
Diffusion coefficients of positronium (Ps) in polycarbonate (PC) have been determined at temperatures between 20 and 300 K by means of positron lifetime spectroscopy. 2,2-dinitrobiphenyl (DNB) was added to the polymer as a Ps quencher and the diffusion coefficients were determined from measured Ps quenching rate constants, assuming that the reaction between Ps and DNB is completely diffusion-controlled. 相似文献
17.
The three-dimensional reference interaction site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. For the native structure of some proteins, the partial molar volume is decomposed into geometric and hydration contributions using the 3D-RISM theory combined with the geometric volume calculation. The hydration contributions are correlated with the surface properties of the protein. The thermal volume, which is the volume of voids around the protein induced by the thermal fluctuation of water molecules, is directly proportional to the accessible surface area of the protein. The interaction volume, which is the contribution of electrostatic interactions between the protein and water molecules, is apparently governed by the charged atomic groups on the protein surface. The polar atomic groups do not make any contribution to the interaction volume. The volume differences between low- and high-pressure structures of lysozyme are also analyzed by the present method. 相似文献
18.
During the search for polyketide synthase (PKS) in the genome of Streptomyces halstedii HC34, we found clustered new genes which appeared to encode typical Type 1 PKSs beyond the cluster harboring the genes for the biosynthesis of antitumor antibiotic vicenistatin. The deduced domain configuration of these putative PKS genes allowed to predict a corresponding partial structure of polyketide, which was in turn materialized by isolation of new polyketide macrolactone halstoctacosanolides A and B from the fermentation broth of S. halstedii HC34. The structures of these metabolites were determined by spectroscopic means to have a novel 28-membered macrolactone structure. The partial structure deduced from the genetic data was completely compatible to the structures of halstoctacosanolides A and B. This success clearly demonstrates the present new approach of genome-inspired search for new antibiotics promising. Halstoctacosanolides A and B showed moderate antimicrobial activity against several microorganisms. 相似文献
19.
Shizuko Hirata Yukimasa Hashimoto Masato Aihara G. Vitharana Mallika 《Fresenius' Journal of Analytical Chemistry》1996,355(5-6):676-679
A flow-injection method for the determination of dissolved cobalt(II) in sea water has been studied based on a combination of column preconcentration using 8-quinolinol immobilized on silica gel, fluoride containing metal alkoxide glass (8HQ-MAF) and chemiluminescence detection with a gallic acid-hydrogen peroxide system. Co(II) is selectively recovered from an acidified sample with 8-quinolinol immobilized on silica gel. After elution with dilute hydrochloric acid the resultant eluent is mixed with the reagent solutions, heated to 60°C and then introduced into the CL cell. The analysis time including the 2-min sample load was 8 min per sea water sample with a corresponding detection limit of 0.62 ngl-1 (3). The average standard deviation calculated for 10 replicate measurements of artificial sea water samples with a concentration of 10 ngl-1 cobalt was ±2.1%. The method has been tested with the standard reference sea waters NASS and CASS. 相似文献
20.
Isolation of lignan glucosides and neolignan sulfate from the leaves of Glochidion zeylanicum (Gaertn) A. Juss 总被引:2,自引:0,他引:2
Six lignan and neolignan derivatives (1-6) were isolated from the n-BuOH-soluble fraction of a MeOH extract of the leaves of Glochidion zeylanicum. On the basis of spectral data, their structures were elucidated to be (+)-isolarisiresinol 3a-O-beta-glucopyranoside (1), dihydrodehydrodiconiferyl alcohol 4-, 9- and 9'-O-beta-D-glucopyranosides (2-4, respectively), (+)-isolarisiresinol 2a-O-beta-D-glucopyranoside (5), and dihydrodehydrodiconiferyl alcohol 9-O-sulfate (6), and 5 and 6 were new compounds. 相似文献