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31.
Properties of the real part of the interaction potential between two colliding ions are studied. The calculations are performed in the framework of the energy density formalism, using the sudden approximation. In particular, we show that the potential can be written as the product of a “universal” function and of a geometrical factor. The universal function itself can be parametrized in a simple way. Connections with the proximity theorem of Randrup, Swiatecki and Tsang are discussed in detail. Comparisons with other available potentials are made for a typical example. 相似文献
32.
The vocal signal emitted by a human operator is characterized by a high degree of variability. Therefore, the fuzzy-set theory can be successfully applied to vocal patterns the contours of which differ from one speaker to another and even for the same one vary with his state of tiredness and humour, and with many other factors [1]. 相似文献
33.
The (1)H and (13)C NMR spectra of two stereoisomeric bis-Tr?ger's bases and four stereoisomeric tris-Tr?ger's bases asymmetrically substituted on the external aromatic rings were recorded and the corresponding signals assigned. The relative configuration of the stereogenic units has been unequivocally determined on the basis of homoallylic couplings and NOE experiments. 相似文献
34.
The auto triple correlation has several fundamental advantages over the ordinary autocorrelation of second order. We present an optoelectronic processor for the computation of the auto triple correlation. 相似文献
35.
Alicja Kowalska Krystian Pluta Andrzej Masślankiewicz Roman Luboradzki 《Journal of chemical crystallography》1999,29(1):103-106
The title compound (C8H10N4O2) is monoclinic, with a = 7.740(2), b = 17.044(7), c = 6.992(3) Å, = 100.60(1)°, and space group P21/c. Two O-methyl groups are coplanar with the pyrimidine ring. Whereas, the O(6)-methyl group is directed away from the imidazole ring toward the N(1) atom, the O(2)-methyl is pointed away from the N(1) atom toward the N(3) atom. Two intermolecular hydrogen bonds H(8)···N(1) and H(711)···O(2) of 2.48(2) and 2.58(3) Å make a linear arrangement of the molecules. The conformation of the O-methyl groups explains some results of thermal rearrangement of 2,6-dialkoxy-7-methylpurines and differences in alkylations of 2,4-dialkoxypyrimidines and 2,6-dialkoxy-7-methylpurines. 相似文献
36.
A high‐speed DNA fragment separation system based on an on‐line combination of capillary ITP with CZE (CITP‐CZE) and using UV detection at 260 nm was developed. A novel CITP‐CZE buffer system of pH 6.1 was designed for the separation of ten DNA fragments with sizes ranging from 100 to 1000 bp. An effect of underivatized α‐, β‐ and γ‐cyclodextrins on the resolution of DNA fragments in the CZE step of the CITP‐CZE combination was systematically investigated. Methylhydroxyethylcellulose present in the BGE was used to eliminate the EOF. DNA ladder fragments were separated within 10 min with LODs in the range of 1–5 ng/μL (S/N = 3). The RSDs of the migration time and peak area of individual DNA fragments were in the range of 1–3 and 3–9%, respectively. The developed CITP‐CZE system was further applied to the analysis of digest plasmid DNA samples. 相似文献
37.
Manuel Martín Gemma Mas Flix Urpí Jaume Vilarrasa 《Angewandte Chemie (International ed. in English)》1999,38(20):3086-3089
The same precursor —namely, (2R)-2-ethyl-4-penten-1-ol—was used to obtain fragments C9–C13 and C1–C8 of 1 , the aglycon of Sch 38516 (which is active against Candida sp.) and fluvirucin B1 (which is active against influenza A virus). The key steps of the synthesis were the aldol-like reaction between the two fragments and the macrolactamization of a 13-azidotridecanoic acid derivative (see scheme). MOM=methoxymethyl, Py=2-pyridyl. 相似文献
38.
P.?Mas?owski K.?Bielska A.?Cygan J.?Domys?awska D.?Lisak R.?Ciury?o A.?Bielski R. S.?Trawiński 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2009,51(3):295-302
Careful analysis of the intercombination 51S0–53P1 line of the 113Cd isotope with two hfs components
and was carried out.
The hyperfine splitting of this line was determined to uncertainty less than
10-3 cm-1 using neon-perturbed Doppler limited spectra. 相似文献
39.
Suzanne Burling Dr. L. Jonas L. Häller Dr. Elena Mas‐Marzá Dr. Aitor Moreno Stuart A. Macgregor Prof. Mary F. Mahon Dr. Paul S. Pregosin Prof. Dr. Michael K. Whittlesey Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2009,15(41):10912-10923
The five‐coordinate ruthenium N‐heterocyclic carbene (NHC) hydrido complexes [Ru(IiPr2Me2)4H][BArF4] ( 1 ; IiPr2Me2=1,3‐diisopropyl‐4,5‐dimethylimidazol‐2‐ylidene; ArF=3,5‐(CF3)2C6H3), [Ru(IEt2Me2)4H][BArF4] ( 2 ; IEt2Me2=1,3‐diethyl‐4,5‐dimethylimidazol‐2‐ylidene) and [Ru(IMe4)4H][BArF4] ( 3 ; IMe4=1,3,4,5‐tetramethylimidazol‐2‐ylidene) have been synthesised following reaction of [Ru(PPh3)3HCl] with 4–8 equivalents of the free carbenes at ambient temperature. Complexes 1 – 3 have been structurally characterised and show square pyramidal geometries with apical hydride ligands. In both dichloromethane or pyridine solution, 1 and 2 display very low frequency hydride signals at about δ ?41. The tetramethyl carbene complex 3 exhibits a similar chemical shift in toluene, but shows a higher frequency signal in acetonitrile arising from the solvent adduct [Ru(IMe4)4(MeCN)H][BArF4], 4 . The reactivity of 1 – 3 towards H2 and N2 depends on the size of the N‐substituent of the NHC ligand. Thus, 1 is unreactive towards both gases, 2 reacts with both H2 and N2 only at low temperature and incompletely, while 3 affords [Ru(IMe4)4(η2‐H2)H][BArF4] ( 7 ) and [Ru(IMe4)4(N2)H][BArF4] ( 8 ) in quantitative yield at room temperature. CO shows no selectivity, reacting with 1 – 3 to give [Ru(NHC)4(CO)H][BArF4] ( 9 – 11 ). Addition of O2 to solutions of 2 and 3 leads to rapid oxidation, from which the RuIII species [Ru(NHC)4(OH)2][BArF4] and the RuIV oxo chlorido complex [Ru(IEt2Me2)4(O)Cl][BArF4] were isolated. DFT calculations reproduce the greater ability of 3 to bind small molecules and show relative binding strengths that follow the trend CO ? O2 > N2 > H2. 相似文献
40.