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排序方式: 共有112条查询结果,搜索用时 15 毫秒
41.
Chiara JL Storch de Gracia I Bastida A 《Chemical communications (Cambridge, England)》2003,(15):1874-1875
The first synthesis of the cyclopentitol units in bacterial hopanoids has been accomplished from D-glucosamine and the possible biological activity of the free cyclitols as glycosidase inhibitors has been studied. 相似文献
42.
Sánchez-Rabaneda F Jáuregui O Lamuela-Raventós RM Bastida J Viladomat F Codina C 《Journal of chromatography. A》2003,1008(1):57-72
A new fast and efficient method combining liquid chromatography coupled to ionspray mass spectrometry in tandem mode with negative ion detection is described for the qualitative analysis of artichoke waste. Forty-five phenolic compounds were identified on the basis of their mass spectra in full scan mode, mass spectra in different MS-MS modes, and retention times compared with those of available reference substances. The major compounds were found to be both caffeoylquinic and dicaffeoylquinic acids, luteolin glucuronide, luteolin galactoside, quercetin, and some quercetin glycosides. 相似文献
43.
Laura Valencia Rufina Bastida Montserrat Lpez‐Deber Alejandro Macías Adolfo Rodríguez Manuel Vicente 《无机化学与普通化学杂志》2003,629(2):268-274
A new pendant‐armed macrocyclic ligand, L1, bearing four pyridyl pendant groups has been synthesized by N‐alkylation of the tetraazamacrocyclic precursor L with 2‐picolyl chloride hydrochloride. Metal complexes of L1 have been synthesized and characterized by microanalysis, MS‐FAB, conductivity measurements, IR, UV‐Vis, 1H and 13C NMR spectroscopy and magnetic studies. Crystal structures of the ligand L1 as well as of the complexes [Ni2L1](ClO4)4·5CH3CN and [Cu2L1](ClO4)4·4.5CH3CN have been determined by single crystal X‐ray crystallography. The X ray studies show the presence of two metal atoms within the macrocyclic ligand in both metal complexes showing five coordination arrangement for the metal ions. 相似文献
44.
Adolfo Bastida Florent Xavier Gardéa 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1997,39(4):325-331
A simulation of the photodissociation of Ar 3 + is performed in the range 200–650nm. The approach relies on Diatomic in Molecules electronic modelling, Molecular Dynamics and the Hemiquantal method. The results are used to interpret the experimental abundance of slow ions in terms of the various absorption bands. Kinetic energy distributions of all fragments are analysed at 530 and 280nm for two internal energies. The time evolution of the cluster is discussed and a concerted one-step mechanism emerges involving charge fluctuations. The simulation only yields fast-fast and fastslow photoneutral-photoneutral coincidences. 相似文献
45.
46.
Asensio JL Hidalgo A Bastida A Torrado M Corzana F Chiara JL García-Junceda E Cañada J Jiménez-Barbero J 《Journal of the American Chemical Society》2005,127(23):8278-8279
Herein, we describe how the conformational differences exhibited by aminoglycosides in the binding pockets of the ribosome and those enzymes involved in bacterial resistance can be exploited in the design of new antibiotic derivatives with improved activity in resistant strains. The simple modification shown in the figure, leading to the conformationally restricted 5, provides an effective protection against aminoglycoside inactivation by Staphylococcus aureus ANT4, both in vivo and in vitro. 相似文献
47.
The molecular dynamics with quantum transitions method is used to study the vibrational relaxation of the HOD bend fundamental in liquid D(2)O. All of the vibrational bending degrees of freedom of the HOD and D(2)O molecules are described by quantum mechanics, while the remaining translational and rotational degrees of freedom are described classically. The effect of the coupling between the rotational and vibrational degrees of freedom of the deuterated water molecules is analyzed. A kinetic mechanism based on three steps is proposed in order to interpret the dynamics of the system. It is shown that intermolecular vibrational energy transfer plays an important role in the relaxation process and also that the transfer of energy into the rotational degrees of freedom is favored over the transfer of energy into the translational motions. The thermalization of the system after the relaxation is reached in a shorter time scale than that of the recovery of the hydrogen bond network. The relaxation and equilibration times obtained compare well with experimental and previous theoretical results. 相似文献
48.
M. del Carmen Fernández-Fernández Rufina Bastida Alejandro Macías Paulo Pérez Lourido Laura Valencia 《Polyhedron》2009
The nitrate and perchlorate Ni(II) complexes of the stereo-isomeric hexazamacrocyclic ligands L1 (3,6,14,17,23,24-hexaazatricyclo[17.3.1.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene,2,7,13,18-tetramethyl) and L2 (3,7,15,19,25,26-hexaazatricyclo[19.3.1.19,13]hexacosa-1(25),9,11,13(26),21,23-hexaene,2,8,14,20-tetramethyl) derived from 2,6-diacetylpyridine have been synthesized and characterized by microanalysis, LSI-MS, conductivity measurements, IR, UV–Vis spectroscopy and magnetic studies. Crystal structures of L1·2H2O as well as of the complexes [NiL1](ClO4)2 and [NiL2](NO3)2 have been determined. The X-ray studies show the presence of mononuclear endomacrocyclic complexes with the metal ion coordinated to all the nitrogen donor atoms from the macrocyclic framework in a N6 core. The geometry around the metal ions can be described as distorted octahedral. The nitrate and perchlorate anions do not coordinate to the metal ions, but they are involved in intermolecular interactions through hydrogen bonds to the amine groups of the macrocyclic ligands. 相似文献
49.
Exceptionally Inert Lanthanide(III) PARACEST MRI Contrast Agents Based on an 18‐Membered Macrocyclic Platform 下载免费PDF全文
Goretti Castro Dr. Martín Regueiro‐Figueroa Dr. David Esteban‐Gómez Dr. Rufina Bastida Dr. Alejandro Macías Dr. Paulo Pérez‐Lourido Dr. Carlos Platas‐Iglesias Dr. Laura Valencia 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(51):18662-18670
We report a macrocyclic ligand based on a 3,6,10,13‐tetraaza‐1,8(2,6)‐dipyridinacyclotetradecaphane platform containing four hydroxyethyl pendant arms (L1) that forms extraordinary inert complexes with Ln3+ ions. The [EuL1]3+ complex does not undergo dissociation in 1 M HCl over a period of months at room temperature. Furthermore, high concentrations of phosphate and Zn2+ ions at room temperature do not provoke metal‐complex dissociation. The X‐ray crystal structures of six Ln3+ complexes reveal ten coordination of the ligand to the metal ions through the six nitrogen atoms of the macrocycle and the four oxygen atoms of the hydroxyethyl pendant arms. The analysis of the Yb3+‐ and Pr3+‐induced paramagnetic 1H NMR shifts show that the solid‐state structures are retained in aqueous solution. The intensity of the 1H NMR signal of bulk water can be modulated by saturation of the signals of the hydroxy protons of Pr3+, Eu3+, and Yb3+ complexes following chemical‐exchange saturation transfer (CEST). The ability of these complexes to provide large CEST effects at 25 and 37 °C and pH 7.4 was confirmed by using CEST magnetic resonance imaging experiments. 相似文献
50.
Modulating Weak Interactions for Molecular Recognition: A Dynamic Combinatorial Analysis for Assessing the Contribution of Electrostatics to the Stability of CH–π Bonds in Water 下载免费PDF全文
Ester Jiménez‐Moreno Dr. Ana M. Gómez Dr. Agatha Bastida Dr. Francisco Corzana Dr. Gonzalo Jiménez‐Oses Dr. Jesús Jiménez‐Barbero Dr. Juan Luis Asensio 《Angewandte Chemie (International ed. in English)》2015,54(14):4344-4348
Electrostatic and charge‐transfer contributions to CH–π complexes can be modulated by attaching electron‐withdrawing substituents to the carbon atom. While clearly stabilizing in the gas phase, the outcome of this chemical modification in water is more difficult to predict. Herein we provide a definitive and quantitative answer to this question employing a simple strategy based on dynamic combinatorial chemistry. 相似文献