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81.
The diffusion of two-dimensional adatom-islands (up to 100 atoms) on Cu(111) has been studied, using the self-learning kinetic Monte Carlo method (Trushin et?al 2005 Phys. Rev. B 72 115401). A variety of multiple-?and single-atom processes are revealed in the simulations, and the size dependences of the diffusion coefficients and effective diffusion barriers are calculated for each. From the tabulated frequencies of events found in the simulation, we show a crossover from diffusion due to the collective motion of the island to a regime in which the island diffuses through periphery-dominated mass transport. This crossover occurs for island sizes between 13 and 19 atoms. For islands containing 19-100 atoms the scaling exponent is 1.5, which is in good agreement with previous work. The diffusion of islands containing 2-13 atoms can be explained primarily on the basis of a linear increase of the barrier for the collective motion with the size of the island. 相似文献
82.
Touati S Mansouri H Bengueddach A de Roy A Forano C Prevot V 《Chemical communications (Cambridge, England)》2012,48(57):7197-7199
Aerogels of layered double hydroxides were prepared by a simple and eco-friendly method involving a quick coprecipitation followed by supercritical CO(2) drying. Such aerogels display high surface areas and enhanced adsorption behavior. 相似文献
83.
Kahouli A Sylvestre A Jomni F Yangui B Legrand J 《The journal of physical chemistry. A》2012,116(3):1051-1058
The electrical conduction mechanisms of semicrystalline thermoplastic parylene C (-H(2)C-C(6)H(3)Cl-CH(2)-)(n) thin films were studied in large temperature and frequency regions. The alternative current (AC) electrical conduction in parylene C is governed by two processes which can be ascribed to a hopping transport mechanism: correlated barrier hopping (CBH) model at low [77-155 K] and high [473-533 K] temperature and the small polaron tunneling mechanism (SPTM) from 193 to 413 K within the framework of the universal law of dielectric response. The conduction mechanism is explained with the help of Elliot's theory, and the Elliot's parameters are determined. From frequency- and temperature-conductivity characteristics, the activation energy is found to be 1.27 eV for direct current (DC) conduction interpreted in terms of ionic conduction mechanism. The power law dependence of AC conductivity is interpreted in terms of electron hopping with a density N(E(F)) (~10(18) eV cm(-3)) over a 0.023-0.03 eV high barrier across a distance of 1.46-1.54 ?. 相似文献
84.
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86.
We report the development of a pattern recognition scheme that takes into account both fcc and hcp adsorption sites in performing self-learning kinetic Monte Carlo (SLKMC-II) simulations on the fcc(111) surface. In this scheme, the local environment of every under-coordinated atom in an island is uniquely identified by grouping fcc sites, hcp sites and top-layer substrate atoms around it into hexagonal rings. As the simulation progresses, all possible processes, including those such as shearing, reptation and concerted gliding, which may involve fcc-fcc, hcp-hcp and fcc-hcp moves are automatically found, and their energetics calculated on the fly. In this article we present the results of applying this new pattern recognition scheme to the self-diffusion of 9-atom islands (M(9)) on M(111), where M = Cu, Ag or Ni. 相似文献
87.
Generation of Pseudocontact Shifts in Proteins with Lanthanides Using Small “Clickable” Nitrilotriacetic Acid and Iminodiacetic Acid Tags 下载免费PDF全文
Dr. Choy‐Theng Loh Dr. Bim Graham Elwy H. Abdelkader Dr. Kellie L. Tuck Prof. Gottfried Otting 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(13):5084-5092
Pseudocontact shifts (PCS) induced by paramagnetic lanthanide ions provide unique long‐range structural information in nuclear magnetic resonance (NMR) spectra, but the site‐specific attachment of lanthanide tags to proteins remains a challenge. Here we incorporated p‐azido‐phenylalanine (AzF) site‐specifically into the proteins ubiquitin and GB1, and ligated the AzF residue with alkyne derivatives of small nitrilotriacetic acid and iminodiacetic acid tags using the CuI‐catalysed “click” reaction. These tags form lanthanide complexes with no or only a small net charge and produced sizeable PCSs with paramagnetic lanthanide ions in all mutants tested. The PCSs were readily fitted by single magnetic susceptibility anisotropy tensors. Protein precipitation during the click reaction was greatly alleviated by the presence of 150 mM NaCl. 相似文献
88.
89.
Ben Abdelkader S. Ben Cherifa A. Coulet M. V. Khattech I. Rogez J. Jemal M. 《Journal of Thermal Analysis and Calorimetry》2004,77(3):863-871
Pure and well crystallised whitlockite Ca18Mg2H2(PO4)14 has been synthesized by precipitation from the magnesium and calcium nitrates and the diammonic phosphate. The product of
the reaction has been characterized by X-ray diffraction, IR spectroscopy and chemical analysis. Using differential conduction
calorimeters the enthalpies of solution of the whitlockite and of a mixture of the solid reactants - the tricalcium, the trimagnesium
and the dicalcium phosphates - have been measured at 25°C for various concentrations of solid in a 46 wt% nitric acid solution.
A combination of the enthalpies of solution with the enthalpies of formation of the reactants allows us to determine the standard
enthalpy of formation of the whitlockite. The value deduced, -27,93·103kJ mol-1, is compared to the standard enthalpies of formation of the trimagnesium and the tricalcium phosphates.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
90.
Tabti Hadja Alia Medjahed Baghdad Boudinar Mohamed Kadeche Abdelkader Bouchikhi Noria Ramdani Amina Taleb Safia Adjdir Mehdi 《Research on Chemical Intermediates》2022,48(6):2683-2703
Research on Chemical Intermediates - In this study, Mg-Fe(II)-Al-layered double hydroxide with different molar ratios Fe/Al (Mg0.80-Fe0.14-Al0.06-LDHs and Mg0.80-Fe0.20-Al0.00-LDHs) was prepared... 相似文献