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Author |
Verberck, B.; Michel, K.H.; Nikolaev, A.V. |
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Title |
Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions |
Type |
A1 Journal article |
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Year |
2002 |
Publication  |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
116 |
Issue |
23 |
Pages |
10462-10474 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics. |
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Place of Publication |
New York, N.Y. |
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Wos |
000175905800044 |
Publication Date |
2002-07-26 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
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Call Number |
UA @ lucian @ c:irua:103350 |
Serial |
578 |
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Author |
Titantah, J.T.; Pierleoni, C.; Ryckaert, J.-P. |
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Title |
Single chain elasticity and thermoelasticity of polyethylene |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
117 |
Issue |
19 |
Pages |
9028-9036 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Single-chain elasticity of polyethylene at theta point up to 90% of stretching with respect to its contour length is computed by Monte Carlo simulation of an atomistic model in continuous space. The elasticity law together with the free-energy and the internal energy variations with stretching are found to be very well represented by the wormlike chain model up to 65% of the chain elongation, provided the persistence length is treated as a temperature-dependent parameter. Beyond this value of elongation simple ideal chain models are not able to describe the Monte Carlo data in a thermodynamic consistent way. This study reinforces the use of the wormlike chain model to interpret experimental data on the elasticity of synthetic polymers in the finite extensibility regime, provided the chain is not yet in its fully stretched regime. Specific solvent effects on the elasticity law and the partition between energetic and entropic contributions to single chain elasticity are investigated. (C) 2002 American Institute of Physics. |
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Place of Publication |
New York, N.Y. |
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Wos |
000178934700046 |
Publication Date |
2002-10-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
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Call Number |
UA @ lucian @ c:irua:103862 |
Serial |
3018 |
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Author |
Linssen, T.; Cool, P.; Baroudi, M.; Cassiers, K.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
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Title |
Leached natural saponite as the silicate source in the synthesis of aluminosilicate hexagonal mesoporous materials |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
Abbreviated Journal |
J Phys Chem B |
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Volume |
106 |
Issue |
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Pages |
4470-4476 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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Place of Publication |
Washington, D.C. |
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Wos |
000175356900019 |
Publication Date |
2002-07-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1520-6106;1520-5207; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.177 |
Times cited |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.177; 2002 IF: 3.611 |
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Call Number |
UA @ lucian @ c:irua:46279 |
Serial |
1811 |
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Author |
Van Aert, S.; den Dekker, A.J.; van Dyck, D.; van den Bos, A. |
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Title |
Optimal experimental design of STEM measurement of atom column positions |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
90 |
Issue |
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Pages |
273-289 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
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Place of Publication |
Amsterdam |
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Wos |
000174770900004 |
Publication Date |
2002-07-25 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
35 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.843; 2002 IF: 1.772 |
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Call Number |
UA @ lucian @ c:irua:47517 |
Serial |
2483 |
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Author |
Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Adams, F. |
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Title |
Capabilities and limitations of Fourier transform laser microprobe mass spectrometry for molecular analysis of solids |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Vacuum |
Abbreviated Journal |
Vacuum |
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Volume |
69 |
Issue |
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Pages |
307-313 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Fourier transform laser microprobe mass spectrometry (FT LMMS) has been developed for the molecular analysis of both organic and inorganic components at the surface of microobjects with the ultimate specificity of high-mass resolution. These capabilities are needed in numerous applications of practical material analysis, such as tracing back anomalies in microobjects. The purpose of this paper is to address representative example from industrial trouble shooting, in which organic and inorganic analytes in a single microparticle have been identified unambiguously. This motivates the research to extend the methodology towards quantification. This paper deals with the fundamental aspect of information depth, specifically for inorganic molecular adduct ions. Finally, data will show the quantitative capabilities of FT LMMS. A suitable methodology for the preparation of reference specimens has allowed the empirical calibration of the response as a function of the local concentration to be achieved. |
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Wos |
000180739000050 |
Publication Date |
2002-12-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0042-207X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.53 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.53; 2002 IF: 0.723 |
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Call Number |
UA @ lucian @ c:irua:43192 |
Serial |
274 |
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Author |
Delalieux, F.; Cardell-Fernandez, C.; Torfs, K.; Vleugels, G.; Van Grieken, R.E. |
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Title |
Damage functions and mechanism equations derived from limestone weathering in field exposure |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Water, air and soil pollution |
Abbreviated Journal |
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Volume |
139 |
Issue |
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Pages |
75-94 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Place of Publication |
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Wos |
000176098500006 |
Publication Date |
2002-12-29 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-6979; 1573-2932 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:39518 |
Serial |
7752 |
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Author |
Bichlmeier, S.; Janssens, K.; Heckel, J.; Hoffmann, P.; Ortner, H.M. |
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Title |
Comparative material characterization of historical and industrial samples by using a compact micro-XRF spectrometer |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
X-Ray Spectrom |
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Volume |
31 |
Issue |
1 |
Pages |
87-91 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Place of Publication |
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Wos |
000173653400016 |
Publication Date |
2002-10-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-8246 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.298 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.298; 2002 IF: 1.574 |
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Call Number |
UA @ admin @ c:irua:36670 |
Serial |
5529 |
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Author |
Samek, L.; Injuk, J.; van Espen, P.; Van Grieken, R. |
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Title |
Performance of a new compact EDXRF spectrometer for aerosol analysis |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
31 |
Issue |
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Pages |
84-86 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Abstract |
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Place of Publication |
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Wos |
000173653400015 |
Publication Date |
2002-10-06 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-8246 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:36383 |
Serial |
8371 |
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Author |
De Vis, K.; Jembrih-Simbürger, D.; Schalm, O.; Schreiner, M.; Caen, J. |
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Title |
Einfluss verschiedener Silbersalze auf die Farbintensität von Silbergelb : analytische Untersuchungen |
Type |
A2 Journal article |
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Year |
2002 |
Publication |
Zeitschrift für Kunsttechnologie und Konservierung |
Abbreviated Journal |
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Volume |
16 |
Issue |
1 |
Pages |
147-157 |
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Keywords |
A2 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Wos |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0931-7198 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:107748 |
Serial |
7855 |
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