全文获取类型
收费全文 | 852篇 |
免费 | 24篇 |
国内免费 | 8篇 |
专业分类
化学 | 496篇 |
晶体学 | 1篇 |
力学 | 17篇 |
数学 | 218篇 |
物理学 | 152篇 |
出版年
2023年 | 4篇 |
2022年 | 4篇 |
2021年 | 10篇 |
2020年 | 12篇 |
2019年 | 17篇 |
2018年 | 16篇 |
2017年 | 14篇 |
2016年 | 25篇 |
2015年 | 21篇 |
2014年 | 8篇 |
2013年 | 48篇 |
2012年 | 50篇 |
2011年 | 61篇 |
2010年 | 43篇 |
2009年 | 45篇 |
2008年 | 51篇 |
2007年 | 49篇 |
2006年 | 62篇 |
2005年 | 47篇 |
2004年 | 54篇 |
2003年 | 52篇 |
2002年 | 41篇 |
2001年 | 8篇 |
2000年 | 11篇 |
1999年 | 3篇 |
1998年 | 12篇 |
1997年 | 13篇 |
1996年 | 10篇 |
1995年 | 5篇 |
1994年 | 4篇 |
1993年 | 8篇 |
1992年 | 12篇 |
1991年 | 4篇 |
1990年 | 3篇 |
1989年 | 4篇 |
1988年 | 4篇 |
1987年 | 4篇 |
1986年 | 2篇 |
1985年 | 3篇 |
1984年 | 8篇 |
1983年 | 3篇 |
1982年 | 4篇 |
1981年 | 6篇 |
1980年 | 3篇 |
1979年 | 2篇 |
1978年 | 2篇 |
1977年 | 4篇 |
1974年 | 3篇 |
1971年 | 1篇 |
1968年 | 1篇 |
排序方式: 共有884条查询结果,搜索用时 15 毫秒
21.
Renee J. Soukup-Hein Jeff Schneiderheinze Paul Mehelic Daniel W. Armstrong 《Chromatographia》2007,66(7-8):461-468
Previous work on the LC separation of peptides had shown that macrocyclic glycopeptide stationary phases to be selective for
peptides of five to thirteen amino acids in length. In this work, the selectivity of the teicoplanin stationary phase is compared
to that of a C18 stationary phase for seven diastereomeric enkephalin peptides. The teicoplanin stationary phase separated
all seven diastereomeric enkephalin peptides in a single chromatographic run. The insertion of d-amino acids into the primary enkephalin sequence produced areas of hydrophobicity that influenced retention order on the
C18 stationary phase. However, analogous trends are not observed on the teicoplanin stationary phase, which is more polar
and structurally diverse. Optimization of the mobile phase and the use of a step-gradient for the enkephalin separation on
the teicoplanin stationary phase is discussed. Also, the selectivity of macrocyclic glycopeptide stationary phases for peptides
of 14, 28, 30, and 36 amino acids also is investigated and compared to separation on a C18 stationary phase. A method for
eluting peptides with multiple basic amino acids, which tend to be strongly retained on the macrocyclic glycopeptide stationary
phases, is presented. 相似文献
22.
23.
The multicanonical basin hopping (MUBH) method, which uses a multicanonical weight in the basin hopping (BH) Monte Carlo method, was found to be very efficient for global optimization of large-scale systems such as Lennard-Jones clusters containing more than 150 atoms. We have implemented an asynchronous parallel version of the MUBH method using the message passing interface (MPI) to take advantage of the full usage of multiprocessors in either a homogeneous or heterogeneous computational environment. Based on the intrinsic properties of the Monte Carlo method, this MPI implementation used the task parallelism to minimize interthread data communication. For a Co nanocluster consisting of N atoms, we have applied the asynchronous multicanonical basin hopping (AMUBH) method (for 181 < N < or = 200), together with BH (for 2 < or = N < 150) and MUBH (for 150 < or = N < or = 180), to search for the molecular configuration of the global energy minimum. AMUBH becomes the only practical computational scheme for locating the energy minimum within realistic computational time for a relatively large cluster. 相似文献
24.
Cowley AR Downs AJ Himmel HJ Marchant S Parsons S Yeoman JA 《Dalton transactions (Cambridge, England : 2003)》2005,(9):1591-1597
The novel adduct 1,1,3,3-tetramethylguanidine-gallane, (Me2N)2CN(H).GaH3, has been prepared by the reaction of [(Me2N)2CNH2]+Cl- with LiGaH4 in Et2O solution. Its spectroscopic properties indicate a monomeric species with an unusually strong coordinate link between the imido function and GaH3, an inference confirmed by the crystal structure at 150 K which also reveals significant secondary interactions through non-classical N-H...H-Ga bridges. Despite the intrinsic strength of the Ga-N bond, however, vaporisation at ca. 310 K occurs with partial dissociation, and decomposition via more than one pathway proceeds at temperatures >330-350 K to give a variety of products, including the free base, Me2NH, H2, and a novel gallium-nitrogen compound composed of a Ga4N4 cubane-like core bridged on three edges by -N{C(NMe2)2}GaH2- units. 相似文献
25.
Jeff Kahn 《Combinatorica》1992,12(4):417-423
Letn(k) be the least size of an intersecting family ofk-sets with cover numberk, and let
k
denote any projective plane of orderk–1.Theorem There is a constant A such that ifH is a random set ofm Aklogk lines from
k
then Pr(H<)0(k).Corollary
If there exists a
k
thenn(k)=O(klogk). These statements were conjectured by P. Erds and L. Lovász in 1973.Supported in part by NSF-DMS87-83558 and AFOSR grants 89-0066, 89-0512 and 90-0008 相似文献
26.
Rajendiran TM Kirk ML Setyawati IA Caudle MT Kampf JW Pecoraro VL 《Chemical communications (Cambridge, England)》2003,(7):824-825
Binuclear manganese complexes Mn2(III/IV)(dtsalpn)2DCBI, 1, Mn2(III/III)(dtsalpn)2HDCBI, 2, containing the ligand dicarboxyimidazole (DCBI) have been prepared in order to address the issue of imidazole bridged and ferromagnetically coupled Mn sites in high oxidation states of the OEC in Photosystem II (PS II). Temperature dependent magnetic susceptibility studies of 1 indicates that the interaction between the two Mn(III)/Mn(IV) ions is ferromagnetic (J = +1.4 cm(-1)). Variable temperature EPR spectra of 1 shows that a g = 2 multiline is as an excited state signal corresponding to S = 1/2. 相似文献
27.
Marcantonio KM Frey LF Liu Y Chen Y Strine J Phenix B Wallace DJ Chen CY 《Organic letters》2004,6(21):3723-3725
[reaction: see text] The palladium-catalyzed cyanation reaction is known to be sensitive to dissolved cyanide. Investigation into some causes of high levels of dissolved cyanide is presented here, along with a robust solution to this problem. 相似文献
28.
29.
30.
N. Greene P. N. Judson J. J. Langowski C. A. Marchant 《SAR and QSAR in environmental research》2013,24(2-3):299-314
Abstract It has long been recognised that the ability to predict the metabolic fate of a chemical substance and the potential toxicity of either the parent compound or its metabolites are important in novel drug design. The popularity of using computer models as an aid in this area has grown considerably in recent years. LHASA Limited has been developing knowledge-based expert systems for toxicity and metabolism prediction in collaboration with industry and regulatory authorities. These systems, DEREK, StAR and METEOR, use rules to describe the relationship between chemical structure and either toxicity in the case of DEREK and StAR, or metabolic fate in the case of METEOR. The rule refinement process for DEREK often involves assessing the predictions for a novel set of compounds and comparing them to their biological assay results as a measure of the system's performance. For example, 266 non-congeneric chemicals from the National Toxicology Program database have been processed through the DEREK mutagenicity knowledge base and the predictions compared to their Salmonella typhimurium mutagenicity data. Initially, 81 of 114 mutagens (71%) and 117 of 152 non-mutagens (77%) were correctly identified. Following further knowledge base development, the number of correctly identified mutagens has increased to 96 (84%). Further work on improving the predictive capabilities of DEREK, StAR and METEOR is in progress. 相似文献