全文获取类型
收费全文 | 146篇 |
免费 | 2篇 |
专业分类
化学 | 82篇 |
数学 | 4篇 |
物理学 | 62篇 |
出版年
2021年 | 1篇 |
2020年 | 3篇 |
2017年 | 1篇 |
2016年 | 2篇 |
2015年 | 1篇 |
2014年 | 1篇 |
2013年 | 7篇 |
2012年 | 2篇 |
2011年 | 4篇 |
2010年 | 3篇 |
2009年 | 3篇 |
2008年 | 7篇 |
2007年 | 9篇 |
2006年 | 9篇 |
2005年 | 2篇 |
2004年 | 5篇 |
2003年 | 5篇 |
2002年 | 7篇 |
2001年 | 2篇 |
2000年 | 5篇 |
1999年 | 5篇 |
1998年 | 1篇 |
1997年 | 6篇 |
1996年 | 3篇 |
1995年 | 1篇 |
1994年 | 2篇 |
1993年 | 1篇 |
1992年 | 3篇 |
1990年 | 5篇 |
1989年 | 4篇 |
1988年 | 2篇 |
1987年 | 1篇 |
1986年 | 1篇 |
1985年 | 3篇 |
1984年 | 1篇 |
1982年 | 1篇 |
1981年 | 4篇 |
1979年 | 1篇 |
1978年 | 3篇 |
1976年 | 5篇 |
1975年 | 3篇 |
1974年 | 2篇 |
1973年 | 4篇 |
1972年 | 3篇 |
1943年 | 1篇 |
1938年 | 1篇 |
1897年 | 2篇 |
排序方式: 共有148条查询结果,搜索用时 15 毫秒
11.
12.
S. Heinze P. Kurz D. Wortmann G. Bihlmayer S. Blügel 《Applied Physics A: Materials Science & Processing》2002,75(1):25-36
In this paper we present a density functional theory investigation of complex magnetic structures in ultra-thin films. The
focus is on magnetically frustrated antiferromagnetic Cr and Mn monolayers deposited on a triangular lattice provided by a
Ag (111) substrate. This involves non-collinear magnetic structures, which we treat by first-principles calculations on the
basis of the vector spin-density formulation of the density functional theory. We find for Cr/Ag (111) a coplanar non-collinear
periodic 120° Néel structure, for Mn/Ag (111) a row-wise antiferromagnetic structure, and for Fe/Ag (111) a ferromagnetic
structure as magnetic ground states. The spin-polarized scanning tunneling microscope (SP–STM) operated in the constant-current
mode is proposed as a powerful tool to investigate complex atomic-scale magnetic structures of otherwise chemically equivalent
atoms. We discuss a recent application of this operation mode of the SP–STM on Mn/W (110), which led to the first observation
of a two-dimensional antiferromagnet on a non-magnetic metal. The future potential of this approach is demonstrated by calculating
SP–STM images for different magnetic structures of Cr/Ag (111). The results show that the predicted non-collinear magnetic
ground state structure can clearly be discriminated from competing magnetic structures. A general discussion of the application
of different operation modes of the SP–STM is presented on the basis of the model of Tersoff and Hamann.
Received: 07 May 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002 相似文献
13.
Olga Bienemann Ann‐Kathrin Froin Ines dos Santos Vieira Ramona Wortmann Alexander Hoffmann Prof. Dr. Sonja Herres‐Pawlis 《无机化学与普通化学杂志》2012,638(11):1683-1690
This contribution reports the synthesis of the novel tetradentate bisguanidine ligand 2′,2′‐[ethane‐1, 2‐diylbis(methylazanediyl)]bis(ethane‐2, 1‐diyl)bis(1, 1, 3, 3‐tetramethylguanidine) ( L1 , TMG2dmtrien), which combines two weak amine and two strong guanidine donor functions. Two new copper(II) complexes were isolated and structurally characterized as complexes [Cu(TMG2dmtrien)][Br]2 · 3MeCN ( C1 [Br]2 · 3MeCN) and [Cu(TMG2dmtrien)][Cl]2 · 3MeCN ( C2 [Cl]2 · 3MeCN). The cations C1 and C2 [Cu(TMG2dmtrien)]2+ show a square‐planar coordination environment and are chiral with both enantiomers being observed in the unit cell. We investigated the application of L1 in copper‐mediated styrene ATRP. L1 shows with CuBr and PEBr as initiator a high polymerization activity according to the polymerization rate. First order kinetics confirm the living character of the polymerization. However, the deviation of molecular weights from theoretical molecular weights and the broad molecular weight distributions hint for a low controlled ATRP. The ATRP with further copper(I) salts {CuCl, [Cu(MeCN)4]BF4 and [Cu(MeCN)4]PF6} and PECl and PEBr as initiators were investigated as well. Herein the use of [Cu(MeCN)4]PF6 with PECl led to promising results. 相似文献
14.
15.
Grald Lelais Dieter Seebach Bernhard Jaun RaveendraI. Mathad Oliver Flgel Francesco Rossi Marino Campo Arno Wortmann 《Helvetica chimica acta》2006,89(3):361-403
The correlation between β2‐, β3‐, and β2,3‐amino acid‐residue configuration and stability of helix and hairpin‐turn secondary structures of peptides consisting of homologated proteinogenic amino acids is analyzed (Figs. 1–3). To test the power of Zn2+ ions in fortifying and/or enforcing secondary structures of β‐peptides, a β‐decapeptide, 1 , four β‐octapeptides, 2 – 5 , and a β‐hexadecapeptide, 10 , have been devised and synthesized. The design was such that the peptides would a) fold to a 14‐helix ( 1 and 3 ) or a hairpin turn ( 2 and 4 ), or form neither of these two secondary structures (i.e., 5 ), and b) carry the side chains of cysteine and histidine in positions, which will allow Zn2+ ions to use their extraordinary affinity for RS? and the imidazole N‐atoms for stabilizing or destabilizing the intrinsic secondary structures of the peptides. The β‐hexadecapeptide 10 was designed to a) fold to a turn, to which a 14‐helical structure is attached through a β‐dipeptide spacer, and b) contain two cysteine and two histidine side chains for Zn complexation, in order to possibly mimic a Zn‐finger motif. While CD spectra (Figs. 6–8 and 17) and ESI mass spectra (Figs. 9 and 18) are compatible with the expected effects of Zn2+ ions in all cases, it was shown by detailed NMR analyses of three of the peptides, i.e., 2, 3, 5 , in the absence and presence of ZnCl2, that i) β‐peptide 2 forms a hairpin turn in H2O, even without Zn complexation to the terminal β3hHis and β3hCys side chains (Fig. 11), ii) β‐peptide 3 , which is present as a 14‐helix in MeOH, is forced to a hairpin‐turn structure by Zn complexation in H2O (Fig. 12), and iii) β‐peptide 5 is poorly ordered in CD3OH (Fig. 13) and in H2O (Fig. 14), with far‐remote β3hCys and β3hHis residues, and has a distorted turn structure in the presence of Zn2+ ions in H2O, with proximate terminal Cys and His side chains (Fig. 15). 相似文献
16.
Numan
zgün Birgitta Knopp Bernd Jung Franz-Josef Wortmann Hartwig H
cker 《Macromolecular Symposia》1998,127(1):151-159
Assessing conformational dimensions of macromolecules is a topic of long-standing interest. Because of its simplicity, it is attractive to investigate the chain properties in θ-conditions. Under these special conditions, the effects of excluded volume of the segments of the polymer chain vanish. The molecular chain is only subject to local constraints resulting from the bond structure and the hindrance to rotations about bonds. To model θ-conditions a contour length dependent cutoff is introduced ensuring that only nonbonded interactions of atoms of neighbouring monomeric units are taken into account for energy calculations. Using this energy model we will show that it is possible to model θ-conditions of a single bisphenol-A polycarbonate (BPA-PC) chain in vacuum by two different methods: (i) (Pseudo-) Langevin dynamics simulations and (ii) regular reassignment of randomly generated atom velocities during a molecular dynamics simulation. Both methods can be used to avoid oscillative dynamic behaviour of the chain. Calculations of the end-to-end vector and the radius of gyration of the equilibrium ensembles derived from simulations at different temperatures show good agreement with experimental data. Thus our model techniques are well suited to simulate θ-conditions with small computational expense. 相似文献
17.
18.
G. Wortmann 《Hyperfine Interactions》1986,27(1-4):263-277
A review is given about the current activities in the field of the “synthetic metals”. This nomenclature is used for materials which consist basically of non-metallic components, but reach metallic conductivities by doping or intercalation reactions with additional components acting as donors or acceptors. Typical examples are conducting polymers like doped polyacetylene or graphite intercalation compounds. The contributions of Mössbauer studies in understanding the electronic, magnetic, and structural properties of such systems are outlined. Comparison with other spectroscopic methods is given in selected cases. 相似文献
19.
C.K. Jayasankar K. Upendra Kumar V. Venkatramu P. Babu Th. Tröster W. Sievers G. Wortmann 《Journal of luminescence》2008,128(5-6):718-720
Emission spectra and decay properties of the 4G5/2 level of Sm3+ ions in TeO2+K2O+Nb2O5 glass have been measured as a function of pressure upto 14.6 GPa at room temperature. A progressive red shift in the barycentres of 4G5/2→6HJ (J=9/2, 7/2 and 5/2) emission bands and increase in splitting of these bands have been observed with increasing pressure. The luminescence decay profile of the 4G5/2 level at ambient condition shows a nearly single exponential nature and with increase in pressure it becomes gradually non-exponential associated with a decrease in lifetime. The non-exponential decay curves are well-fitted to the Inokuti–Hirayama model for S=6, indicating that the interaction for cross-relaxation energy transfer between Sm3+ ions is of dipole–dipole type. The results obtained after release of pressure reveal that there is a small hysteresis. 相似文献
20.
Dimtra Domvoglou Franz Wortmann Jim Taylor Roger Ibbett 《Cellulose (London, England)》2010,17(4):757-770
A combination of techniques have been used to characterise lyocell regenerated cellulose fibre subjected to low-moisture thermal-catalytic reactions with zinc chloride Lewis acid. Application from non-swelling ethanol reduces catalyst accessibility, but at high temperatures migration takes place through the internal fibre morphology. The extent of chain scission is reduced at lower temperatures, leading to a higher leveling-off degree of polymerisation (LODP). In contrast, application of zinc chloride from water results in a lower LODP, due to the more even distribution of catalyst. The weights of extractable polymer material increase according to two separate rate constants, following established semicrystalline models. A higher Arrhenius activation energy for chain scission is seen for zinc chloride application from ethanol, which may be due to the physical mobilisation of the cellulose polymer at high temperature, associated with a cellulose Tg. This may also aid recrystallisation. Cellulose dehydration endotherms and pyrolysis exotherms are shifted to lower temperature for application of zinc chloride from ethanol compared to water, which may be the result of a higher local concentration of catalyst and a faster reaction onset. 相似文献