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31.
Cu(II) and Zn(II) complexes were synthesized from equimolar amounts of carboxamides; 1,8-bis(2-thiophenecarboxamido)-p-menthane (tkdam) and 1,8-bis(2-furancarboxamido)-p-menthane (furdam). The structure of the carboxamides were determined by elemental analysis; 1H NMR, 13C NMR, FT-IR and LC-MS spectra. The relative energies and the electronic properties (LUMO, HOMO, LUMO-HOMO gap) of the ligands
were investigated theoretically by performing Semi-empirical molecular orbital theory PM3 method in Hyperchem 7 (Release).
Carboxamide complexes having general formula as; monomeric, [ML]Cl2 and dimeric [Cu(tkdam)Cl]2Cl2 · 5H2O were synthesized and characterized by using element analysis; FT-IR, LC-MS spectra; magnetic susceptibility, molar conductivity
and thermal (TGA/DTA curve) studies. It was found that the coordination number of the monomeric complexes is four whereas
dimeric’s is six. The changes in the selected vibration bands in FT-IR indicate that, carboxamides behave as tetradentate
ligands and coordinate to metal ions from acyl ring (through S/O) and amide carbonyl (C=O). Molar conductivity measurements
indicate the 1: 2 ionic nature of the carboxamide complexes. 相似文献
32.
Madalina Tudose Florin D. Badea Gabriela Ionita Maria Maganu Miron T. Caproiu Petre Ionita Titus Constantinescu Alexandru T. Balaban 《Structural chemistry》2010,21(6):1227-1234
Starting from 4-chloro-3,5-dinitrobenzoic acid 1, compounds 2–10 (N-alkoxy-3,5-dinitro-4-aminobenzoic acid esters where alkoxy stands for methoxy, carboxymethoxy, triphenylmethoxy, or corresponding
amides) have been obtained, from which compounds 3–5 and 7–10 are new, and for the known compounds 2 and 6 the synthetic procedure has been improved. The new derivatives have been characterized by appropriate means (IR, UV–Vis,
1H- and 13C-NMR, fluorescence) and their properties were studied. Thus, depending on their structure, the compounds have acid properties,
fluorescence and complexing properties with alkaline cations. 相似文献
33.
Madalina Tudose Florin D. Badea Miron T. Caproiu Adrian Beteringhe Maria Maganu Petre Ionita Titus Constantinescu Alexandru T. Balaban 《Central European Journal of Chemistry》2010,8(4):789-796
Starting from N-hydroxyphthalimide 1 and the reactive fluoro- or chloro-nitroaryl derivatives 2, 3 and 4a-e (2-chloro-3,5-dinitropyridine; 3, NBD-chloride; 4a, 1-fluoro-2,4-dinitrobenzene; 4b, picryl chloride; 4c, 4-chloro-3,5-dinitrobenzotrifluoride; 4d, 2-chloro-3,5- dinitrobenzotrifluoride; 4e, 4-chloro-3,5-dinitrobenzoic acid) the corresponding N-(2-nitroaryloxy)-phthalimide derivatives 5a-e, or 6 and 7 were obtained and characterized by IR, UV-Vis 1H-NMR and 13C-NMR spectroscopy. The TLC behavior and the hydrophobicity of these derivatives have been experimentally evaluated by RM0 parameters (using RP-TLC). The experimental RM0 parameters were compared with the calculated partition coefficient, log P. A QSPR study was also performed to establish possible
correlations between the structure and physical properties (λmax and RM0) of compounds 5a-e, 6, and 7.
相似文献
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36.
Conclusions The results of our analysis strongly support our two Fe environment hypothesis. The critical concentration at about 12 at.% suggests that the dependence of H(0,x) on x undergoes a fundamental change at this concentration. Furthermore, the so-called critical concentration at about 17 at.% apparently has little to do with any fundamental alloy property. Rather, it reflects the 12 at.% critical composition when properties are analyzed in terms of the average rather than the local Fe concentration. The two Fe environments appear to have differing configurations.This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48. 相似文献
37.
Mihaela Carmen Balaban Cyril Chappaz-Gillot Olaf Fuhr Christian Roussel 《Tetrahedron》2009,65(18):3733-193
meso-Bromoporphyrins can be conveniently substituted by primary and secondary amines in a metal catalyst-free reaction which gives access to a large variety of meso-N-substituted derivatives. In some cases, considerable acceleration of this amination can be effected under microwave irradiation. The amino anchor on the porphyrin skeleton is useful for constructing novel self-assembling porphyrinoids as demonstrated by a single crystal X-ray analysis as well as stationary absorption and fluorescence spectroscopies. 相似文献
38.
The MeOH extracts of wood and bark from Quercus hartwissiana have been investigated by GC-MS after derivatization, as well
as by classical spectroscopic methods. The results for the free compounds revealed that ellagic acid, catechin, gallic acid,
quercitol, and also long chain fatty acids, sugars, and sitosterol were the essential compounds in wood and bark, most of
them being present in differing amounts. Quercitol, a characteristic compound for the oak wood tannin, was also recognized
and determined in oak bark extracts in this study. Amounting to 1/4th to 1/3rd of the free compounds, the bark had the highest catechin content. While the content of sugars, such as fructose and glucose,
increased in sapwood and bark extracts remarkably, the amounts of these compounds decreased in extracts of heartwood. The
profile of the bound compounds contained sugars (i.e., arabinose, xylose, and, above all, glucose), ellagic and gallic acids,
quercitols, and inositols. Compared with the composition of free compounds, the hydrolyzed extracts showed relatively higher
amounts of sugars, especially glucose, gallic acid and quercitol. 相似文献
39.
Balaban AT 《Physical chemistry chemical physics : PCCP》2011,13(46):20649-20658
After a brief history of the aromaticity concept, the use of Clar sextet circles is reviewed for explaining various aspects of planar aromatic systems (benzenoids, heterocycles) and of tridimensional carbon aggregates. When folding a graphene sheet for obtaining nanotubes, nanotori, or nanocones, the congruence of Clar sextet circles allows the classification of all such aggregates into two classes (congruent or incongruent) with marked differences in properties; this is in agreement with the well-known condition h - k ≡ 0 (mod 3), equivalent to congruence, in terms of the chiral vectors h and k for graphene sheets. 相似文献
40.
We consider the aromaticity of biphenylene and structurally related linear or angular [n]phenylenes for which the direct application of the model of conjugated circuits does not offer valid expressions for resonance energy and aromaticity. We located the cause of this problem as being due to Kekulé valence structures in which neighboring benzenoid rings are connected by two CC double bonds. By restricting the selection of Kekulé valence structures to those that contribute to Clar structures of such systems, we were able to show that linear and angular [n]phenylenes have approximately similar resonance energies, with angular [n]phenylenes being slightly more stable due to second order contributions arising from disjoint conjugated circuits. Expressions for resonance energies of [n]phenylenes up to n = 8 are listed and recursion expressions for higher n values are outlined. 相似文献