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Author Montoya, E.; Bals, S.; Van Tendeloo, G. pdf  doi
openurl 
  Title Redeposition and differential sputtering of La in transmission electron microscopy samples of LaAIO3/SrTiO3 multilayers prepared by focused ion beam Type A1 Journal article
  Year 2008 Publication Journal of microscopy Abbreviated Journal J Microsc-Oxford  
  Volume 231 Issue 3 Pages 359-363  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000259611000001 Publication Date 2008-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2720;1365-2818; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.692 Times cited Open Access  
  Notes The authors are grateful to M. Huijben and G. Rijnders of the MESA+ group at the University of Twente (NI) for the growth of the multilayers. This work has been performed under the Interuniversity Attraction Poles programme – Belgian State Belgian Science Policy. The authors acknowledge financial support from the European Union under the framework 6 program under a contract for an Integrated Infrastructure initiative. Part of this work was performed with financial support from the European Union under the framework 6 programme, under a contract for an Integrated Infrastructure Initiative (Reference No. 02601.9 ESTEEM). Approved Most recent IF: 1.692; 2008 IF: 1.409  
  Call Number UA @ lucian @ c:irua:76522 Serial 2849  
Permanent link to this record
 

 
Author Potapov, P.L.; Kulkova, S.E.; Schryvers, D. pdf  doi
openurl 
  Title Study of changes in L32 EELS ionisation edges upon formation of Ni-based intermetallic compounds Type A1 Journal article
  Year 2003 Publication Journal of microscopy Abbreviated Journal J Microsc-Oxford  
  Volume 210 Issue Pages 102-109  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000182189600014 Publication Date 2005-12-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2720;1365-2818; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.692 Times cited 11 Open Access  
  Notes Approved Most recent IF: 1.692; 2003 IF: 1.779  
  Call Number UA @ lucian @ c:irua:48778 Serial 3328  
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. openurl 
  Title The anharmonic force field of thioformaldehyde, H2CS Type A1 Journal article
  Year 1994 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc  
  Volume 168 Issue Pages 363-373  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1994PU60800015 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2852 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.482 Times cited 18 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10259 Serial 119  
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS Type A1 Journal article
  Year 1995 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc  
  Volume 169 Issue Pages 445-457  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1995QD98400014 Publication Date 2002-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.482 Times cited 37 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12277 Serial 45  
Permanent link to this record
 

 
Author Martin, J.M.L.; Francois; Gijbels, R. doi  openurl
  Title The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods Type A1 Journal article
  Year 1994 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc  
  Volume 168 Issue 2 Pages 363-373  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1994PU60800015 Publication Date 2002-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.482 Times cited 18 Open Access  
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #  
  Call Number UA @ lucian @ c:irua:95414 Serial 3570  
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Author Bal, K.M.; Cautereels, J.; Blockhuys, F. pdf  url
doi  openurl
  Title Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 Type A1 Journal article
  Year 2017 Publication Journal of molecular structure Abbreviated Journal J Mol Struct  
  Volume 1132 Issue Pages 102-108  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000393254400015 Publication Date 2016-08-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2860 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.753 Times cited Open Access Not_Open_Access: Available from 03.10.2019  
  Notes Approved Most recent IF: 1.753  
  Call Number UA @ lucian @ c:irua:145533 Serial 4726  
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Author Ben Abdallah, M.A.; Bacchi, A.; Parisini, A.; Canossa, S.; Bergamonti, L.; Balestri, D.; Kamoun, S. pdf  url
doi  openurl
  Title Crystal structure, vibrational, electrical, optical and DFT study of C₂H₁0N₂(IO₃)₂.HIO₃ Type A1 Journal article
  Year 2020 Publication Journal Of Molecular Structure Abbreviated Journal J Mol Struct  
  Volume 1215 Issue Pages 128254-12  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The reinvestigation of the EDA-HIO3-H2O system using a different stoichiometric ratio gives rise to a new iodate salt C2H10N2(IO3)(2 center dot)HIO3 denoted as EBIMIA. In this study, we reported the structural properties of ethylenediammonium bis iodate mono iodic acid using X-ray powder and single crystal diffraction at room temperature. The Hirshfeld and the potential energy surface analysis reveal that I center dot center dot center dot O and N-H center dot center dot center dot O are the most noticeable interactions that took place inside the crystal and contribute to the cohesion and stability of the synthesized compound. The DSC measurement shows that this iodate salt undergoes two structural phase transitions, the first occurs at T = 290 K while the second occurs at T = 363 K. However, the dielectric analysis confirms only the second transition because it lies in the studied temperature domain 338-413K. Besides, the impedance data obey a circuit model consisting of a parallel combination of a bulk resistance and CPE. The frequency dispersion of the conductivity follows Jonscher's law and the charge carrier transport may be interpreted using the correlation barrier hopping mechanism (CBH). Finally, the electronic properties and the vibrational analysis of this novel iodate salt are studied using DFT and compared to the experimental data given by the FT-IR, Raman and UV-visible spectroscopies. (C) 2020 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000537221300012 Publication Date 2020-04-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2860 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.8 Times cited Open Access OpenAccess  
  Notes ; The authors are grateful to Pr. Giovani Predieri, Pr. Pier Paolo Lottici, and Pr. Danilo Bersani, for their help with the vibrational measurement. Moreover, authors wish to thank, Pr. Salvatore Vantaggio and Dr. Silvio Scaravonati for their contribution in carrying out the impedance spectroscopy measurements. The authors acknowledge also the Analytical Chemistry, Cultural Heritage, Inorganic Chemistry and Crystallography Unit (SCVSA department, university of Parma, Italy) and the Tunisian Ministry of Higher Education and Scientific Research (LR11ES46) for their support. ; Approved Most recent IF: 3.8; 2020 IF: 1.753  
  Call Number UA @ admin @ c:irua:170148 Serial 6480  
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Author Stefaniak, E.A.; Darchuk, L.; Sapundjiev, D.; Kips, R.; Aregbe, Y.; Van Grieken, R. pdf  doi
openurl 
  Title New insight into UO2F2 particulate structure by micro-Raman spectroscopy Type A1 Journal article
  Year 2013 Publication Journal of molecular structure Abbreviated Journal  
  Volume 1040 Issue Pages 206-212  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Uranyl fluoride particles produced via hydrolysis of uranium hexafluoride have been deposited on different substrates: polished graphite disks, silver foil, stainless steel and gold-coated silicon wafer, and measured with micro-Raman spectroscopy (MRS). All three metallic substrates enhanced the Raman signal delivered by UO2F2 in comparison to graphite. The fundamental stretching of the UO band appeared at 867 cm−1 in case of the graphite substrate, while in case of the others it was shifted to lower frequencies (down to 839 cm−1). All applied metallic substrates showed the expected effect of Raman signal enhancement; however the gold layer appeared to be most effective. Application of new substrates provides more information on the molecular structure of uranyl fluoride precipitation, which is interesting for nuclear safeguards and nuclear environmental analysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000318961000027 Publication Date 2013-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2860 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:107123 Serial 8299  
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title The impact of quantum chemical methods on the interpretation of molecular spectra of carbon clusters (review article) Type A1 Journal article
  Year 1993 Publication Journal of molecular structure Abbreviated Journal J Mol Struct  
  Volume 294 Issue Pages 21-24  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993KU48000006 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2860; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.602 Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:6148 Serial 1560  
Permanent link to this record
 

 
Author Michielsen, B.; Verlackt, C.; van der Veken, B.J.; Herrebout, W.A. pdf  doi
openurl 
  Title C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine Type A1 Journal article
  Year 2012 Publication Journal Of Molecular Structure Abbreviated Journal J Mol Struct  
  Volume 1023 Issue Pages 90-95  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000308971900017 Publication Date 2012-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-2860; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.753 Times cited 21 Open Access  
  Notes Approved Most recent IF: 1.753; 2012 IF: 1.404  
  Call Number UA @ lucian @ c:irua:100917 Serial 3519  
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Author Schalm, O.; Anaf, W. pdf  doi
openurl 
  Title Laminated altered layers in historical glass : density variations of silica nanoparticle random packings as explanation for the observed lamellae Type A1 Journal article
  Year 2016 Publication Journal of non-crystalline solids Abbreviated Journal  
  Volume 442 Issue Pages 1-16  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract One of the most striking but unexplained phenomena in the natural degradation of glass is the transformation of an almost colorless, transparent and homogeneous glass into a colored, opaque and heterogeneous degradation layer. In many cases, the degradation layer consists of numerous lamellae with a thickness between 0.1 and 10 pm. However, both internal structure and formation proess of laminated degradation layers remain unclear. In this paper, a model is proposed where we assume that transformed (degraded) glass consists of a random packing of nano-sized silica particles while the lamellae are the result of different packing densities. The model is able to connect the texture of numerous lamellae observed by several types of microscopic techniques with the structure at molecular level determined by means of chemical analysis. In addition, the model is able to explain numerous properties such as the parameters responsible for the contrast between lamellae. This contrast can be caused by differences in color, density, elemental composition, or surface roughness. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375809800001 Publication Date 2016-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3093 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:133634 Serial 8146  
Permanent link to this record
 

 
Author Schalm, O.; Nuyts, G.; Janssens, K. pdf  url
doi  openurl
  Title Some critical observations about the degradation of glass : the formation of lamellae explained Type A1 Journal article
  Year 2021 Publication Journal Of Non-Crystalline Solids Abbreviated Journal J Non-Cryst Solids  
  Volume 569 Issue Pages 120984  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This study demonstrates that the mechanism responsible for the transformation of glass into a degradation layer is pH-dependent. In acid conditions, the transformed glass is homogeneous and brittle. In mild alkaline conditions, transformed glass is heterogeneous due to the presence of lamellae composed of silica nanoparticles and the occurrence of Ca-rich inclusions. The fundamental difference between acid and alkaline conditions cannot be explained by the currently accepted degradation mechanism based on ion exchange. To explain this critical observation, we propose a refined degradation mechanism based on existing knowledge that involves several inwardly moving reaction fronts. The fronts responsible for the transformation of the silicate network into amorphous silica are also responsible for the morphology of the transformed glass. We have identified the feedback mechanism that explains the formation of lamellae in alkaline conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000674487200009 Publication Date 2021-06-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3093 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.124 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.124  
  Call Number UA @ admin @ c:irua:179835 Serial 8551  
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Author Nistor, L.C.; van Landuyt, J.; Barton, J.D.; Hole, D.E.; Skelland, N.D.; Townsend, P.D. doi  openurl
  Title Colloid size distributions in ion implanted glass Type A1 Journal article
  Year 1993 Publication Journal of non-crystalline solids Abbreviated Journal J Non-Cryst Solids  
  Volume 162 Issue Pages 217-224  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1993LY37100002 Publication Date 2003-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3093; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.766 Times cited 63 Open Access  
  Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #  
  Call Number UA @ lucian @ c:irua:6787 Serial 389  
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Author Hole, D.E.; Townsend, P.D.; Barton, J.D.; Nistor, L.C.; van Landuyt, J. doi  openurl
  Title Gallium colloid formation during ion implantation of glass Type A1 Journal article
  Year 1995 Publication Journal of non-crystalline solids Abbreviated Journal J Non-Cryst Solids  
  Volume 180 Issue Pages 266-274  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1995QB59400018 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3093; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.766 Times cited 34 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:13288 Serial 1313  
Permanent link to this record
 

 
Author Boulay, E.; Ragoen, C.; Idrissi, H.; Schryvers, D.; Godet, S. doi  openurl
  Title Influence of amorphous phase separation on the crystallization behavior of glass-ceramics in the BaO-TiO2-SiO2 system Type A1 Journal article
  Year 2014 Publication Journal of non-crystalline solids Abbreviated Journal J Non-Cryst Solids  
  Volume 384 Issue Pages 61-72  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The possible role of a prior amorphous phase separation on the subsequent crystallization has been the topic of vigorous debates over the last decades and has not yet been clarified, especially regarding the role of the interfaces created by the phase separation. This study proposes to focus on the interplay between a prior amorphous phase separation and the crystallization of fresnoite in the BaO-TiO2-SiO2 system. The crystallization behavior of a non-stoichiometric composition inside the miscibility gap (called APS) is compared with the stoichiometric composition (called FRES) and a non-stoichiometric composition outside the miscibility gap (called NoAPS). The crystallization mechanisms are compared using differential thermal analysis (DTA) by calculating the Avrami parameters and the activation energies as a function of the particle size. The DTA study shows that the two non-stoichiometric compositions exhibit a pronounced surface crystallization behavior whereas FRES undergoes bulk nucleation. This is supported by a multi-scale microstructure characterization. Furthermore, this study demonstrates that the amorphous phase separation and the associated interfaces do not play any significant role in the nucleation step. Moreover, transmission electron microscope (TEM) and local orientation measurements show that the growth of the dendrites is not hindered by the SiO2-rich droplets. The final stage of crystallization of APS is tentatively explained by two composition effects that must be further investigated: the viscosity effect and the formation of a eutectic. (C) 2013 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000329422400010 Publication Date 2013-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3093; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.124 Times cited 10 Open Access  
  Notes Approved Most recent IF: 2.124; 2014 IF: 1.766  
  Call Number UA @ lucian @ c:irua:114782 Serial 1614  
Permanent link to this record
 

 
Author Liu, S.; Rao, J.; Sui, X.; Cool, P.; Vansant, E.F.; Van Tendeloo, G.; Cheng, X. pdf  doi
openurl 
  Title Preparation of hollow silica spheres with different mesostructures Type A1 Journal article
  Year 2008 Publication Journal of non-crystalline solids Abbreviated Journal J Non-Cryst Solids  
  Volume 354 Issue 10/11 Pages 826-830  
  Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)  
  Abstract Hollow silica spheres were quickly synthesized by an octylamine (OA) templating method using tetraethyl orthosilicate (TEOS) as the silica source. N2-sorption results indicate that the hollow spheres have high surface areas and pore volumes. XRD and TEM measurements reveal that the structure of the hollow spheres depends on the amount of TEOS used in the synthesis. When low amount of TEOS is added, the template-containing precursor spheres depict an XRD pattern with two peaks, which can be indexed to a lamellar phase. After the removal of the template, the obtained hollow spheres show no diffraction peaks in the XRD pattern, suggesting that the nanopores in the silica shells are disordered. If increasing the amount of TEOS, either the uncalcined or the calcined sample gives an XRD pattern with a single diffraction peak. The mesostructure of these hollow silica spheres is typically as HMS materials. TGA analyses suggest that the interaction between the silica species and surfactant is stronger in the latter case.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000253216700003 Publication Date 2007-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3093; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.124 Times cited 26 Open Access  
  Notes Gao Approved Most recent IF: 2.124; 2008 IF: 1.449  
  Call Number UA @ lucian @ c:irua:72018 Serial 2703  
Permanent link to this record
 

 
Author Lambrinou, K.; Charalampopoulou, E.; Van der Donck, T.; Delville, R.; Schryvers, D. pdf  url
doi  openurl
  Title Dissolution corrosion of 316L austenitic stainless steels in contact with static liquid lead-bismuth eutectic (LBE) at 500 °C Type A1 Journal article
  Year 2017 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater  
  Volume 490 Issue 490 Pages 9-27  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This work addresses the dissolution corrosion behaviour of 316L austenitic stainless steels. For this purpose, solution-annealed and cold-deformed 316L steels were simultaneously exposed to oxygen-poor (<10-8 mass%) static liquid lead-bismuth eutectic (LBE) for 253e3282 h at 500 °C. Corrosion was consistently more severe for the cold-drawn steels than the solution-annealed steel, indicating the importance of the steel thermomechanical state. The thickness of the dissolution-affected zone was nonuniform, and sites of locally-enhanced dissolution were occasionally observed. The progress of LBE dissolution attack was promoted by the interplay of certain steel microstructural features (grain boundaries, deformation twin laths, precipitates) with the dissolution corrosion process. The identified dissolution mechanisms were selective leaching leading to steel ferritization, and non-selective leaching; the latter was mainly observed in the solution-annealed steel. The maximum corrosion rate decreased with exposure time and was found to be inversely proportional to the depth of dissolution attack.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403132300002 Publication Date 2017-04-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.048 Times cited 24 Open Access OpenAccess  
  Notes The authors would like to acknowledge the following 316L stainless steel suppliers: Industeel, ArcelorMittal Group, for the 316LSA plate procured and characterised in the FP6 EUROTRANSDEMETRA project (Contract no. FI6W-CT-2004-516520); OLARRA Aceros Inoxidables, Spain, for the 316LH1 rod; and SIDERO STAAL nv, Belgium, for the 316LH2 rod. K. Lambrinou would like to thank J. Joris for technical support during the launching and follow up of all corrosion tests, J. Lim for the manufacturing and calibration of the oxygen sensors used in these tests, T. Lapauw for the XRD measurements on the pristine steels, and S. Van den Broeck for the FIB sample preparation. Special thanks to S. Gavrilov for fruitful and intense discussions. The authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). Approved Most recent IF: 2.048  
  Call Number EMAT @ emat @ c:irua:142644 Serial 4563  
Permanent link to this record
 

 
Author Cautaerts, N.; Delville, R.; Dietz, W.; Verwerft, M. pdf  url
doi  openurl
  Title Thermal creep properties of Ti-stabilized DIN 1.4970 (15-15Ti) austenitic stainless steel pressurized cladding tubes Type A1 Journal article
  Year 2017 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater  
  Volume 493 Issue Pages 154-167  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This paper presents a large database of thermal creep data from pressurized unirradiated DIN 1.4970 Ti-stabilized austenitic stainless steel (i.e. EN 1515CrNiMoTiB or “15-15Ti”) cladding tubes from more than 1000 bi-axial creep tests conducted during the fast reactor R&D program of the DeBeNe (Deutschland-Belgium- Netherlands) consortium between the 1960's to the late 1980's. The data comprises creep rate and time-to-rupture between 600 and 750 degrees C and a large range of stresses. The data spans tests on material from around 70 different heats and 30 different melts. Around one fourth of the data was obtained from cold worked material, the rest was obtained on cold worked + aged (800 degrees C, 2 h) material. The data are graphically presented in log-log graphs. The creep rate data is fit with a sinh correlation, the time to rupture data is fit with a modified exponential function through the Larson-Miller parameter. Local equivalent parameters to Norton's law are calculated and compared to literature values for these types of steels and related to possible creep mechanisms. Some time to rupture data above 950 degrees C is compared to literature dynamic recrystallization data. Time to rupture data between 600 and 750 degrees C is also compared to literature data from 316 steel. Time to rupture was correlated directly to creep rate with the Monkman-Grant relationship at different temperatures. (C) 2017 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000408044000018 Publication Date 2017-06-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.048 Times cited 5 Open Access OpenAccess  
  Notes ; ; Approved Most recent IF: 2.048  
  Call Number UA @ lucian @ c:irua:145686 Serial 4753  
Permanent link to this record
 

 
Author Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. pdf  doi
openurl 
  Title Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels Type A1 Journal article
  Year 2018 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater  
  Volume 507 Issue 507 Pages 177-187  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000438019800021 Publication Date 2018-04-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.048 Times cited 1 Open Access Not_Open_Access  
  Notes ; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; Approved Most recent IF: 2.048  
  Call Number UA @ lucian @ c:irua:152382 Serial 5043  
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Author Caglak, E.; Govers, K.; Lamoen, D.; Labeau, P.-E.; Verwerft, M. pdf  url
doi  openurl
  Title Atomic scale analysis of defect clustering and predictions of their concentrations in UO2+x Type A1 Journal article
  Year 2020 Publication Journal Of Nuclear Materials Abbreviated Journal J Nucl Mater  
  Volume 541 Issue Pages 152403  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The physical properties of uranium dioxide vary greatly with stoichiometry. Oxidation towards hyperstoichiometric UO2 – UO2+x – might be encountered at various stages of the nuclear fuel cycle if oxidative conditions are met; the impact of stoichiometry changes upon physical properties should therefore be properly assessed to ensure safe and reliable operations. These physical properties are intimately linked to the arrangement of atomic defects in the crystalline structure. The evolution of the defect concentration with environmental parameters – oxygen partial pressure and temperature – were evaluated by means of a point defect model where the reaction energies are derived from atomic-scale simulations. To this end, various configurations and net charge states of oxygen interstitial clusters in UO2 have been calculated. Various methodologies have been tested to determine the optimum cluster configurations and a rigid lattice approach turned out to be the most useful strategy to optimize defect configuration structures. Ultimately, results from the point defect model were discussed and compared to experimental measurements of stoichiometry dependence on oxygen partial pressure and temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000575165800006 Publication Date 2020-08-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access OpenAccess  
  Notes This work is dedicated to the memory of Prof. Alain Dubus, ULB, Bruxelles, Belgium. Financial support from the SCK CEN is gratefully acknowledged. Approved Most recent IF: 3.1; 2020 IF: 2.048  
  Call Number EMAT @ emat @c:irua:172464 Serial 6402  
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Author Penders, A.G.; Konstantinovic, M.J.; Yang, T.; Bosch, R.-w.; Schryvers, D.; Somville, F. pdf  url
doi  openurl
  Title Microstructural investigation of IASCC crack tips extracted from thimble tube O-ring specimens Type A1 Journal article
  Year 2022 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater  
  Volume 565 Issue Pages 153727-16  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The microstructural features of intergranular irradiation-assisted stress corrosion crack tips from a redeemed neutron-irradiated flux thimble tube (60 dpa) have been investigated using focused-ion beam analysis and (scanning) transmission electron microscopy. The current work presents a close examination of the deformation field and oxide assembly associated with intergranular cracking, in addition to the analysis of radiation-induced segregation at leading grain boundaries. Evidence of stress induced martensitic transformation extending from the crack tips is presented. Intergranular crack arrest is demonstrated on the account of the external tensile stress orientation, and as a consequence of MnS inclusion particles segregating close to the fractured grain boundary. Exclusive observations of grain boundary oxidation prior to the cracking are presented, which is in full-agreement with the internal oxidation model.(c) 2022 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000799256300004 Publication Date 2022-04-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.1  
  Call Number UA @ admin @ c:irua:188609 Serial 7086  
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Author Penders, A.G.; Konstantinović, M.J.; Van Renterghem, W.; Bosch, R.-W.; Schryvers, D.; Somville, F. pdf  url
doi  openurl
  Title Characterization of IASCC crack tips extracted from neutron-irradiated flux thimble tube specimens in view of a probabilistic fracture model Type A1 Journal article
  Year 2022 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater  
  Volume 571 Issue Pages 154015-154016  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This study reports the properties of irradiation assisted stress corrosion crack tips extracted by means of focused-ion beam from 60 to 80 dpa neutron-irradiated O-ring specimens tested under straining conditions under a pressurized-water reactor environment. Various crack tip morphologies and surrounding deformation features were analyzed as a function of applied stress, surface oxidation state and loading form – constant versus cyclic. All investigated cracks exhibit grain boundary oxidation in front of the crack tip, with the extent of oxidation being proportional to applied stress. These findings clearly demonstrate that, under the subcritical crack propagation regime, the grain boundary oxide grows faster than the crack. On the other hand, crack tips appertaining to specimens with removed oxide layer at the outer surface show comparatively less oxidation at the crack tip, which could indicate towards crack initiation from regions that exemplify lower stress, such as the O-ring inner surface. Cyclic loading is found to have a more pronounced effect on the crack tip microstructure, demonstrating increased deformation twinning and -martensitic transformation, which signifies towards an increased susceptibility to intergranular failure. Still, the extent of crack tip grain boundary oxidation in this case agrees well with expected values for maximum stress applied during cyclic loading. All results are interpreted based on the probabilistic subcritical crack propagation mechanism and provide strong support to a stress-driven internal oxidation model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000872389200009 Publication Date 2022-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.1  
  Call Number UA @ admin @ c:irua:190375 Serial 7135  
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Author Stefaniak, E.A.; Sajó, I.; Alsecz, A.; Worobiec, A.; Máthé, Z.; Török, S.; Van Grieken, R. doi  openurl
  Title Recognition of uranium oxides in soil particulate matter by means of ì-Raman spectrometry Type A1 Journal article
  Year 2008 Publication Journal of nuclear materials Abbreviated Journal  
  Volume 381 Issue Pages 278-283  
  Keywords A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Soil samples from an abandoned uranium mine have been investigated in order to determine the molecular phases of uranium compounds. The experiments were carried out with soil particulate matter, collected randomly from the area of the formerly exploited ore. To select the particles rich with uranium, scanning electron microscopy with energy-dispersive X-ray attachment (SEM/EDX) was applied first. Afterwards, the particles were relocated and measured by l-Raman spectrometry (MRS). Residues of the main deposit, uraninite UO2, were detected, along with its alteration products. In terms of Raman scattering properties, uranium oxides are quite sensitive to the laser beam wavelength, which results in very specific features of their Raman spectra. In this paper the Raman spectra of uranium oxides of different origin and oxidation states, measured with 514 and 785 nm lasers, are also presented  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000261347800010 Publication Date 2008-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:71079 Serial 8460  
Permanent link to this record
 

 
Author Ramael, M.; van den Bossche, J.; Buysse, C.; van Meerbeeck, J.; Segers, K.; Vermeire, P.; Van Marck, E. doi  openurl
  Title Immunoreactivity for P-170 glycoprotein in malignant mesothelioma and in non-neoplastic mesothelium of the pleura using the murine monoclonal antibody JSB-1 Type A1 Journal article
  Year 1992 Publication The journal of pathology Abbreviated Journal  
  Volume 167 Issue Pages 5-8  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992HW17700002 Publication Date 2005-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:3618 Serial 8059  
Permanent link to this record
 

 
Author Ramael, M.; Lemmens, G.; Eerdekens, C.; Buysse, C.; Deblier, I.; Jacobs, W.; Van Marck, E. doi  openurl
  Title Immunoreactivity for p53 protein in malignant mesothelioma and non-neoplastic mesothelium Type A1 Journal article
  Year 1992 Publication The journal of pathology Abbreviated Journal  
  Volume 168 Issue Pages 371-375  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992KE99600005 Publication Date 2005-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:3646 Serial 8060  
Permanent link to this record
 

 
Author Ramael, M.; Buysse, C.; van den Bossche, J.; Segers, K.; Van Marck, E. openurl 
  Title Immunoreactivity for the β chain of the platelet derived growth factor receptor (PDGF-R) in malignant mesothelioma and non-neoplastic mesothelium Type A1 Journal article
  Year 1992 Publication The journal of pathology Abbreviated Journal  
  Volume 167 Issue Pages 1-4  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3417 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:3614 Serial 8061  
Permanent link to this record
 

 
Author Ramael, M.; van den Bossche, J.; Buysse, C.; Van Marck, E. doi  openurl
  Title Nucleolar organizer regions in mesothelial proliferations Type L1 Letter to the editor
  Year 1992 Publication The journal of pathology Abbreviated Journal  
  Volume 167 Issue Pages 435  
  Keywords L1 Letter to the editor; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992JL42900013 Publication Date 2005-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:3642 Serial 8321  
Permanent link to this record
 

 
Author Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R. url  doi
openurl 
  Title Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro Type A1 Journal article
  Year 2023 Publication Journal of petrology Abbreviated Journal  
  Volume 64 Issue 3 Pages egad008-18  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Oriented needle-, lath- and plate-shaped magnetite micro-inclusions in rock forming plagioclase from mafic intrusive rocks, were investigated using correlated optical microscopy and scanning transmission electron microscopy. The magnetite micro-inclusions were analysed on cuts parallel and perpendicular to the inclusion-elongation directions. The crystal structures of the two phases are in direct contact along the interfaces. The shape, shape orientation and crystallographic orientation relationships between the magnetite micro-inclusions and the plagioclase host appear to be controlled by the tendency of the system to optimise lattice match along the interfaces. The elongation direction of the inclusions ensures good match between prominent oxygen layers in the magnetite and plagioclase crystal structures across the interfaces bounding the inclusions parallel to their elongation direction. In cross-section, additional modes of lattice match, such as the commensurate impingement of magnetite and plagioclase lattice planes along the interfaces, the parallel alignment of the interfaces to low-index lattice planes of magnetite or plagioclase, or the parallel alignment to low index lattice planes of both phases are observed, which appear to control the selection of interface facets, as well as the shape and crystallographic orientation relationships between magnetite micro-inclusions and plagioclase host. The systematics of the inclusion cross-sectional shapes and crystallographic orientation relationships indicate recrystallisation of magnetite with potential implications for natural remanent magnetisation of magnetite-bearing plagioclase grains.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001010636400007 Publication Date 2023-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3530 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.9; 2023 IF: 3.28  
  Call Number UA @ admin @ c:irua:195160 Serial 7292  
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Author Wilmotte, A.; Turner, S.; van de Peer, Y.; Pace, N.R. doi  openurl
  Title Taxonomical study of marine oscillatorian strains (Cyanobacteria) with narrow trichomes: 2: nucleotide sequence analysis of the 16S ribosomal RNA Type A1 Journal article
  Year 1992 Publication Journal Of Phycology Abbreviated Journal J Phycol  
  Volume 28 Issue Pages 828-838  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Baltimore, Md Editor  
  Language Wos A1992KH06800016 Publication Date 2004-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3646;1529-8817; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.844 Times cited 58 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:11368 Serial 3470  
Permanent link to this record
 

 
Author Martin, J.M.L.; François, J.P.; Gijbels, R. doi  openurl
  Title Accurate ab initio quartic force fields and thermochemistry of FNO and CINO Type A1 Journal article
  Year 1994 Publication The journal of physical chemistry Abbreviated Journal  
  Volume 98 Issue 44 Pages 11394-11400  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos A1994PP89400022 Publication Date 2005-03-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (up) 0022-3654;1541-5740; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12310 Serial 44  
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