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Author Verbueken, A.H.; Jacob, W.A.; Frederik, P.M.; Busing, W.M.; Hersten, R.C.; Van Grieken, R.E. openurl 
  Title Doped albumin : stndardization possibilities for LAMMA-analysis of thin freeze-dried cryosections of biological tissue Type A1 Journal article
  Year 1984 Publication (down) Journal de physique Abbreviated Journal  
  Volume 45 Issue C:2 Pages 561-564  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  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 0302-0738 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:116708 Serial 7823  
Permanent link to this record
 

 
Author Bruynseels, F.; Storms, H.; Van Grieken, R. doi  openurl
  Title LAMMA and electron-microprobe analysis of atmospheric aerosols Type A1 Journal article
  Year 1984 Publication (down) Journal de physique Abbreviated Journal  
  Volume 45 Issue C:2 Pages 785-788  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A laser microprobe mass analyser and a highly automated electron probe X-ray microanalysis unit have been used to study the elemental composition, inorganic speciation and morphology of atmospheric aerosols collected at various remote to polluted and marine to continental locations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1984SQ01400182 Publication Date 2007-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0302-0738 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:113621 Serial 8148  
Permanent link to this record
 

 
Author de Raedt, I.; Janssens, K.; Veeckman, J.; Adams, F. openurl 
  Title Samenstelling van 15de- tot 17de-eeuwse glazen voorwerpen opgegraven in Antwerpen: deel 1 Type A3 Journal article
  Year 1998 Publication (down) Journaal van de Belgische Vereniging voor Glastechnieken Abbreviated Journal  
  Volume Issue Pages 9-17  
  Keywords A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  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 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:24908 Serial 5824  
Permanent link to this record
 

 
Author de Raedt, I.; Janssens, K.; Veeckman, J.; Adams, F. openurl 
  Title Samenstelling van 15de- tot 17de-eeuwse glazen voorwerpen opgegraven in Antwerpen: deel 2 Type A3 Journal article
  Year 1998 Publication (down) Journaal van de Belgische Vereniging voor Glastechnieken Abbreviated Journal  
  Volume Issue Pages 5-19  
  Keywords A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  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 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:24910 Serial 5825  
Permanent link to this record
 

 
Author Kelly, S.; Bogaerts, A. pdf  url
doi  openurl
  Title Nitrogen fixation in an electrode-free microwave plasma Type A1 Journal Article
  Year 2021 Publication (down) Joule Abbreviated Journal Joule  
  Volume 5 Issue 11 Pages 3006-3030  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Plasma-based gas conversion has great potential for enabling carbon-free fertilizer production powered by renewable electricity. Sustaining an energy-efficient plasma process without eroding the containment vessel is currently a significant challenge, limiting scaling to higher powers and throughputs. Isolation of the plasma from contact with any solid surfaces is an advantage, which both limits energy loss to the walls and prevents material erosion that could lead to disastrous soil contamination. This paper presents highly energy-efficient nitrogen fixation from air into NOx by microwave plasma, with the plasma filament isolated at the center of a quartz tube using a vortex gas flow. NOx production is found to scale very efficiently when increasing both gas flow rate and absorbed power. The lowest energy cost recorded of ~2 MJ/mol, for a total NOx production of ~3.8%, is the lowest reported up to now for atmospheric pressure plasmas.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000723010700018 Publication Date 2021-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2542-4351 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes We acknowledge financial support by the European Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182 – SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. We thank Dr. Waldo Bongers and Dr. Floran Peeters of the DIFFER institute for their help and advice in the initial phase of the project, as well as Mr. Luc van‘t Dack, Dr. Karen Leyssens and Ing. Karel Venken for their technical assistance. We thank Dr. Klaus Werner, executive director of the RF Energy Alliance, for his extensive expertise and helpful discourse regarding solid-state MW technology. Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:184250 Serial 6835  
Permanent link to this record
 

 
Author Smondyrev, M.A.; Vansant, P.; Peeters, F.M.; Devreese, J.T. openurl 
  Title Nonlinear Schrödinger equation on a ring Type A3 Journal article
  Year 1994 Publication (down) JINR communications Abbreviated Journal  
  Volume Issue Pages  
  Keywords A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #  
  Call Number UA @ lucian @ c:irua:9279 Serial 2357  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R.; Goedheer, W. doi  openurl
  Title Hybrid modeling of a capacitively coupled radio frequency glow discharge in argon: combined Monte Carlo and fluid model Type A1 Journal article
  Year 1999 Publication (down) Japanese journal of applied physics Abbreviated Journal Jpn J Appl Phys  
  Volume 38 Issue Pages 4404-4415  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Kyoto Editor  
  Language Wos 000082871400032 Publication Date 2002-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-4922;1347-4065; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.384 Times cited 45 Open Access  
  Notes Approved Most recent IF: 1.384; 1999 IF: 1.411  
  Call Number UA @ lucian @ c:irua:24922 Serial 1523  
Permanent link to this record
 

 
Author Vereecke, B.; van der Veen, M.H.; Sugiura, M.; Kashiwagi, Y.; Ke, X.; Cott, D.J.; Hantschel, T.; Huyghebaert, C.; Tökei, Z. pdf  doi
openurl 
  Title Wafer-level electrical evaluation of vertical carbon nanotube bundles as a function of growth temperature Type A1 Journal article
  Year 2013 Publication (down) Japanese journal of applied physics Abbreviated Journal Jpn J Appl Phys  
  Volume 52 Issue 42 Pages 04cn02-5  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have evaluated the resistance of carbon nanotubes (CNTs) grown at a CMOS-compatible temperature using a realistic integration scheme. The structural analysis of the CNTs by transmission electron microscopy (TEM) showed that the degree of graphitization decreased significantly when the growth temperature was decreased from 540 to 400 °C. The CNTs were integrated to form 150-nm-diameter vertical interconnects between a TiN layer and Cu metal trenches on 200 mm full wafers. Wafers with CNTs grown at low temperature were found to have a lower single-contact resistance than those produced at high temperatures. Thickness measurements showed that the low contact resistance is a result of small contact height. This height dependence is masking the impact of CNT graphitization quality on resistance. When benchmarking our results with data from the literature, a relationship between resistivity and growth temperature cannot be found for CNT-based vertical interconnects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Kyoto Editor  
  Language Wos 000320002400150 Publication Date 2013-03-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-4922;1347-4065; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.384 Times cited 5 Open Access  
  Notes Approved Most recent IF: 1.384; 2013 IF: 1.057  
  Call Number UA @ lucian @ c:irua:108713 Serial 3902  
Permanent link to this record
 

 
Author Ishikawa, K.; Karahashi, K.; Ichiki, T.; Chang, J.P.; George, S.M.; Kessels, W.M.M.; Lee, H.J.; Tinck, S.; Um, J.H.; Kinoshita, K. pdf  url
doi  openurl
  Title Progress and prospects in nanoscale dry processes: How can we control atomic layer reactions? Type A1 Journal article
  Year 2017 Publication (down) Japanese journal of applied physics Abbreviated Journal Jpn J Appl Phys  
  Volume 56 Issue 56 Pages 06HA02  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this review, we discuss the progress of emerging dry processes for nanoscale fabrication. Experts in the fields of plasma processing have contributed to addressing the increasingly challenging demands in achieving atomic-level control of material selectivity and physicochemical reactions involving ion bombardment. The discussion encompasses major challenges shared across the plasma science and technology community. Focus is placed on advances in the development of fabrication technologies for emerging materials, especially metallic and intermetallic compounds and multiferroic, and two-dimensional (2D) materials, as well as state-of-the-art techniques used in nanoscale semiconductor manufacturing with a brief summary of future challenges.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000425887900001 Publication Date 2017-06-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-4922 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.384 Times cited 18 Open Access OpenAccess  
  Notes The authors would like to thank Drs. Masanobu Honda, Miyako Matsui, Tomohiro Okumura, Tetsuya Tatsumi, Satoshi Hamaguchi, Hiroto Ohtake, Yoshinobu Ohya, Kazunori Shinoda, Masaru Izawa, Hisataka Hayashi, Toshio Hayashi, Makoto Sekine, and Masaru Hori, and all members of the Program and Publication Committee of the 38th International Symposium on Dry Process 2016 held in Sapporo, Japan, as well as Nicholas Altieri and Jeffrey Chang at UCLA for proofreading and providing feedback on the manuscript. Approved Most recent IF: 1.384  
  Call Number PLASMANT @ plasmant @ c:irua:143872 Serial 4576  
Permanent link to this record
 

 
Author Ozden, A.; Ay, F.; Sevik, C.; Perkgoz, N.K. doi  openurl
  Title CVD growth of monolayer MoS2: Role of growth zone configuration and precursors ratio Type A1 Journal article
  Year 2017 Publication (down) Japanese journal of applied physics Abbreviated Journal  
  Volume 56 Issue 6s:[1] Pages 06gg05  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Single-layer, large-scale two-dimensional material growth is still a challenge for their wide-range usage. Therefore, we carried out a comprehensive study of monolayer MoS2 growth by CVD investigating the influence of growth zone configuration and precursors ratio. We first compared the two commonly used approaches regarding the relative substrate and precursor positions, namely, horizontal and face-down configurations where facedown approach is found to be more favorable to obtain larger flakes under identical growth conditions. Secondly, we used different types of substrate holders to investigate the influence of the Mo and S vapor confinement on the resulting diffusion environment. We suggest that local changes of the S to Mo vapor ratio in the growth zone is a key factor for the change of shape, size and uniformity of the resulting MoS2 formations, which is also confirmed by performing depositions under different precursor ratios. Therefore, to obtain continuous monolayer films, the S to Mo vapor ratio is needed to be kept within a certain range throughout the substrate. As a conclusion, we obtained monolayer triangles with a side length of 90 mu m and circles with a diameter of 500 mu m and continuous films with an area of 85 0 mu m x 1 cm when the S-to-Mo vapor ratio is optimized. (C) 2017 The Japan Society of Applied Physics  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000401059800003 Publication Date 2017-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-4922; 1347-4065 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:193783 Serial 7747  
Permanent link to this record
 

 
Author Zheng, J.; Zhang, H.; Lv, J.; Zhang, M.; Wan, J.; Gerrits, N.; Wu, A.; Lan, B.; Wang, W.; Wang, S.; Tu, X.; Bogaerts, A.; Li, X. url  doi
openurl 
  Title Enhanced NH3Synthesis from Air in a Plasma Tandem-Electrocatalysis System Using Plasma-Engraved N-Doped Defective MoS2 Type A1 Journal Article
  Year 2023 Publication (down) JACS Au Abbreviated Journal JACS Au  
  Volume 3 Issue 5 Pages 1328-1336  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract We have developed a sustainable method to produce NH3 directly from air using a plasma tandem-electrocatalysis system that operates via the N2−NOx−NH3 pathway. To efficiently reduce NO2− to NH3, we propose a novel electrocatalyst consisting of defective N-doped molybdenum sulfide nanosheets on vertical graphene arrays (N-MoS2/VGs). We used a plasma engraving process to form the metallic 1T phase, N doping, and S vacancies in the electrocatalyst simultaneously. Our system exhibited a remarkable NH3 production rate of 7.3 mg h−1 cm−2 at −0.53 V vs RHE, which is almost 100 times higher than the state-of-the-art electrochemical nitrogen reduction reaction and more than double that of other hybrid systems. Moreover, a low energy consumption of only 2.4 MJ molNH3−1 was achieved in this study. Density functional theory calculations revealed that S vacancies and doped N atoms play a dominant role in the selective reduction of NO2− to NH3. This study opens up new avenues for efficient NH3 production using cascade systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000981779300001 Publication Date 2023-05-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2691-3704 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (51976191, 5227060056, 52276214) and the National Key Technologies R&D Program of China (2018YFE0117300). N.G. was financially supported through an NWO Rubicon Grant (019.202EN.012). X.T. acknowl- edges the support of the Engineering and Physical Sciences Research Council (EP/X002713/1). Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:196761 Serial 8792  
Permanent link to this record
 

 
Author Long, Y.; Wang, X.; Zhang, H.; Wang, K.; Ong, W.-L.; Bogaerts, A.; Li, K.; Lu, C.; Li, X.; Yan, J.; Tu, X.; Zhang, H. url  doi
openurl 
  Title Plasma chemical looping : unlocking high-efficiency CO₂ conversion to clean CO at mild temperatures Type A1 Journal article
  Year 2024 Publication (down) JACS Au Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001225139200001 Publication Date 2024-05-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:205970 Serial 9166  
Permanent link to this record
 

 
Author Van Aert, S.; De Backer, A.; Martinez, G.T.; den Dekker, A.J.; Van Dyck, D.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Advanced electron crystallography through model-based imaging Type A1 Journal article
  Year 2016 Publication (down) IUCrJ Abbreviated Journal Iucrj  
  Volume 3 Issue 3 Pages 71-83  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Engineering Management (ENM)  
  Abstract The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000368590900010 Publication Date 2015-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-2525; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.793 Times cited 30 Open Access OpenAccess  
  Notes The authors gratefully acknowledge the Research Foundation Flanders (FWO, Belgium) for funding and for a PhD grant to ADB. The research leading to these results has received funding from the European Union 7th Framework Program (FP7/20072013) under grant agreement No. 312483 (ESTEEM2). SB and GVT acknowledge the European Research Council under the 7th Framework Program (FP7), ERC grant No. 335078 – COLOURATOMS and ERC grant No. 246791 – COUNTATOMS.; esteem2jra2; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); Approved Most recent IF: 5.793  
  Call Number c:irua:129589 c:irua:129589 Serial 3965  
Permanent link to this record
 

 
Author Pinheiro, C.B.; Abakumov, A.M. url  doi
openurl 
  Title Superspace crystallography : a key to the chemistry and properties Type A1 Journal article
  Year 2015 Publication (down) IUCrJ Abbreviated Journal Iucrj  
  Volume 2 Issue 2 Pages 137-154  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract An overview is given of the recent advances in the field of modulated molecular and inorganic crystals with an emphasis on the links between incommensurability, intermolecular and interatomic interactions and, wherever possible, the properties of the materials. The importance of detailed knowledge on the modulated structure for understanding the crystal chemistry and the functional properties of modulated phases is shown using selected examples of incommensurate modulations in organic molecular compounds and inorganic complex oxides.  
  Address  
  Corporate Author Thesis  
  Publisher Int union crystallography Place of Publication Chester Editor  
  Language Wos 000356865900016 Publication Date 2014-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-2525; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.793 Times cited 15 Open Access  
  Notes Approved Most recent IF: 5.793; 2015 IF: NA  
  Call Number c:irua:127058 Serial 3382  
Permanent link to this record
 

 
Author Poppe, R.; Vandemeulebroucke, D.; Neder, R.B.; Hadermann, J. pdf  url
doi  openurl
  Title Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 Type A1 Journal article
  Year 2022 Publication (down) IUCrJ Abbreviated Journal Iucrj  
  Volume 9 Issue 5 Pages 695-704  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In contrast to perfectly periodic crystals, materials with short-range order produce diffraction patterns that contain both Bragg reflections and diffuse scattering. To understand the influence of short-range order on material properties, current research focuses increasingly on the analysis of diffuse scattering. This article verifies the possibility to refine the short-range order parameters in submicrometre-sized crystals from diffuse scattering in single-crystal electron diffraction data. The approach was demonstrated on Li<sub>1.2</sub>Ni<sub>0.13</sub>Mn<sub>0.54</sub>Co<sub>0.13</sub>O<sub>2</sub>, which is a state-of-the-art cathode material for lithium-ion batteries. The intensity distribution of the 1D diffuse scattering in the electron diffraction patterns of Li<sub>1.2</sub>Ni<sub>0.13</sub>Mn<sub>0.54</sub>Co<sub>0.13</sub>O<sub>2</sub>depends on the number of stacking faults and twins in the crystal. A model of the disorder in Li<sub>1.2</sub>Ni<sub>0.13</sub>Mn<sub>0.54</sub>Co<sub>0.13</sub>O<sub>2</sub>was developed and both the stacking fault probability and the percentage of the different twins in the crystal were refined using an evolutionary algorithm in<italic>DISCUS</italic>. The approach was applied on reciprocal space sections reconstructed from 3D electron diffraction data since they exhibit less dynamical effects compared with in-zone electron diffraction patterns. A good agreement was achieved between the calculated and the experimental intensity distribution of the diffuse scattering. The short-range order parameters in submicrometre-sized crystals can thus successfully be refined from the diffuse scattering in single-crystal electron diffraction data using an evolutionary algorithm in<italic>DISCUS</italic>.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000852551800018 Publication Date 2022-09-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-2525 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes The research leading to these results has received funding from the Research Foundation Flanders, G035619N G040116N ; Approved Most recent IF: 3.9  
  Call Number EMAT @ emat @c:irua:190647 Serial 7105  
Permanent link to this record
 

 
Author Poppe, R.; Roth, N.; Neder, R.B.; Palatinus, L.; Iversen, B.B.; Hadermann, J. url  doi
openurl 
  Title Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data Type A1 Journal article
  Year 2024 Publication (down) IUCrJ Abbreviated Journal  
  Volume 11 Issue 1 Pages 82-91  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb0.84CoSb was chosen as a reference material. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms were refined from the diffuse scattering using a Monte Carlo refinement in DISCUS. The difference between the Sb and Co displacements refined from the diffuse scattering and the Sb and Co displacements refined from the Bragg reflections in single-crystal X-ray diffraction data is 0.012 (7) angstrom for the refinement on diffuse scattering in single-crystal X-ray diffraction data and 0.03 (2) angstrom for the refinement on the diffuse scattering in single-crystal electron diffraction data. As electron diffraction requires much smaller crystals than X-ray diffraction, this opens up the possibility of refining short-range order parameters in many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001168018300012 Publication Date 2023-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-2525 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:205513 Serial 9170  
Permanent link to this record
 

 
Author Memarbashi, E.; Azadi, H.; Barati, A.A.; Mohajeri, F.; Van Passel, S.; Witlox, F. url  doi
openurl 
  Title Land-use suitability in Northeast Iran : application of AHP-GIS hybrid model Type A1 Journal article
  Year 2017 Publication (down) Isprs International Journal Of Geo-Information Abbreviated Journal Isprs Int J Geo-Inf  
  Volume 6 Issue 12 Pages 396-15  
  Keywords A1 Journal article; Economics; Engineering Management (ENM); Government and Law  
  Abstract Land-use suitability is the ability of a given type of land to support a defined use. Analysis of land-use suitability requires the consideration of a variety of criteria, not only the natural/physical capacity of a land unit, but also its socioeconomic and environmental impact implications. As land suitability is assessed within a Geographic Information System (GIS) environment, it is formulated as a multi-criteria decision making (MCDM) problem. The study was conducted in the Sangab Plain in northeast Iran. We investigated the study areas suitability for grassland and agricultural uses. A hybrid method of the analytic hierarchy process (AHP) and GIS methodology was applied to evaluate land suitability based on a set of criteria and sub-criteria. Results showed that 20% of the study area had high (rich), 65% had medium (fair), and 15% had low (poor) suitability for agriculture. In terms of grassland use, the comparable amounts were, respectively, about 7%, 23%, and 70%. The lands of the Sangab Plain have medium potential for agricultural use and low potential for grassland use. This paper used both qualitative and quantitative techniques.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000419217200018 Publication Date 2017-12-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2220-9964 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.371 Times cited 7 Open Access  
  Notes ; ; Approved Most recent IF: 0.371  
  Call Number UA @ admin @ c:irua:148395 Serial 6221  
Permanent link to this record
 

 
Author Zhao, H.; Li, C.-F.; Yong, X.; Kumar, P.; Palma, B.; Hu, Z.-Y.; Van Tendeloo, G.; Siahrostami, S.; Larter, S.; Zheng, D.; Wang, S.; Chen, Z.; Kibria, M.G.; Hu, J. url  doi
openurl 
  Title Coproduction of hydrogen and lactic acid from glucose photocatalysis on band-engineered Zn1-xCdxS homojunction Type A1 Journal article
  Year 2021 Publication (down) iScience Abbreviated Journal  
  Volume 24 Issue 2 Pages 102109  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Photocatalytic transformation of biomass into value-added chemicals coupled with co-production of hydrogen provides an explicit route to trap sunlight into the chemical bonds. Here, we demonstrate a rational design of Zn1-xCdxS solidsolution homojunction photocatalyst with a pseudo-periodic cubic zinc blende (ZB) and hexagonal wurtzite (WZ) structure for efficient glucose conversion to simultaneously produce hydrogen and lactic acid. The optimized Zn0.6Cd0.4S catalyst consists of a twinning superlattice, has a tuned bandgap, and displays excellent efficiency with respect to hydrogen generation (690 +/- 27.6 mu mol.h(-1).g(cat).(-1)), glucose conversion (similar to 90%), and lactic acid selectivity (similar to 87%) without any co-catalyst under visible light irradiation. The periodic WZ/ZB phase in twinning superlattice facilitates better charge separation, while superoxide radical (center dot O-2(-)) and photogenerated holes drive the glucose transformation and water oxidation reactions, respectively. This work demonstrates that rational photocatalyst design could realize an efficient and concomitant production of hydrogen and value-added chemicals from glucose photocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000621266700080 Publication Date 2021-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2589-0042 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:176744 Serial 6720  
Permanent link to this record
 

 
Author Horemans, B.; Schalm, O.; De Wael, K.; Cardell, C.; Van Grieken, R. url  doi
openurl 
  Title Atmospheric composition and micro-climate in the Alhambra monument, Granada (Spain), in the context of preventive conservation Type P1 Proceeding
  Year 2012 Publication (down) IOP conference series : materials science and engineering Abbreviated Journal  
  Volume 37 Issue Pages 012002-12008  
  Keywords P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The world famous Alhambra monument in Granada, Southern Spain, listed as UNESCO world cultural heritage since 1984, represents probably the most beautiful example of Islamic art and architecture from the Middle Ages in Europe. It is visited by ca. 2 million people annually. Granada is situated in a natural basin, surrounded by mountains with altitudes up to 3500 m. Due to this topography and the prevailing low wind speeds, pollution-derived and especially traffic-derived particulate matter often accumulates in the urban air. In order to evaluate the potential conservation risks from the surrounding air, the atmospheric composition in the Alhambra monument was evaluated. Indoor temperature and relative humidity fluctuations were evaluated for their potential degenerative effects. Furthermore, the atmospheric composition in the Alhambra was analyzed in terms of inorganic gases (NO2, SO2, O3, and NH3) and black carbon. It was found that the open architecture protected the indoor environments from developing a potentially harmful microclimate, such as the build-up of humidity resulting from the huge number of daily tourists. On the downside, the strong ventilation made the indoor air hardly different from outdoor air, as characterized by strong diurnal temperature and relative humidity gradients and high traffic-derived pollutant levels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000307662000002 Publication Date 2012-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1757-8981; 1757-899x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:100112 Serial 5484  
Permanent link to this record
 

 
Author Schalm, O.; Anaf, W.; Callier, J.; Leyva Pernia, D. url  doi
openurl 
  Title New generation monitoring devices for heritage guardians to detect multiple events and hazards Type P1 Proceeding
  Year 2018 Publication (down) IOP conference series : materials science and engineering Abbreviated Journal  
  Volume 364 Issue Pages Unsp 012056-9  
  Keywords P1 Proceeding; Engineering sciences. Technology; Art; History; Antwerp Systems and software Modelling (AnSyMo); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract Environmental parameters such as temperature, relative humidity, visible light, UV radiation and pollution influence the deterioration rate of heritage items. To judge on the environmental appropriateness for heritage conservation, it is therefore important to monitor the environment. Often, an incomplete set of environmental parameters is measured, or sporadic or time-averaged measurements are performed. As a result, a wide range of undesirable situations and hazards remain unnoticed. This might lead to an underestimation of environmental dangers (i.e., inaccurate judgement) or to inappropriate mitigation measures (i.e., inaccurate decision making). We present an innovative and user-friendly monitoring device that simultaneously and continuously measures (1) environmental parameters and (2) material behavior. An extended combination of off-the-shelf sensors for temperature, relative humidity, air speed, CO2, NO2, O-3 and particulate matter are connected to a multipurpose datalogger. In-house developed sensors for the shrinkage and expansion behavior of wood, as well as sensors for metal corrosion rates are connected to the same datalogger. Such extended monitoring shows the identification of a wider range of undesirable situations, and it facilitates the search for correlations between such situations and the sources that cause them, i.e., the hazards.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000452025100056 Publication Date 2018-06-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1757-8981; 1757-899x 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:151825 Serial 8298  
Permanent link to this record
 

 
Author Kadu, A.; van Leeuwen, T.; Batenburg, K.J. pdf  url
doi  openurl
  Title CoShaRP : a convex program for single-shot tomographic shape sensing Type A1 Journal article
  Year 2021 Publication (down) Inverse Problems Abbreviated Journal Inverse Probl  
  Volume 37 Issue 10 Pages 105005  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We introduce single-shot x-ray tomography that aims to estimate the target image from a single cone-beam projection measurement. This linear inverse problem is extremely under-determined since the measurements are far fewer than the number of unknowns. Moreover, it is more challenging than conventional tomography, where a sufficiently large number of projection angles forms the measurements, allowing for a simple inversion process. However, single-shot tomography becomes less severe if the target image is only composed of known shapes. This paper restricts analysis to target image function that can be decomposed into known compactly supported non-negative-valued functions termed shapes. Hence, the shape prior transforms a linear ill-posed image estimation problem to a non-linear problem of estimating the roto-translations of the shapes. We circumvent the non-linearity by using a dictionary of possible roto-translations of the shapes. We propose a convex program CoShaRP, to recover the dictionary coefficients successfully. CoShaRP relies on simplex-type constraints and can be solved quickly using a primal-dual algorithm. The numerical experiments show that CoShaRP recovers shape stably from moderately noisy measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000691743700001 Publication Date 2021-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0266-5611 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.62 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 1.62  
  Call Number UA @ admin @ c:irua:181617 Serial 6859  
Permanent link to this record
 

 
Author Zeegers, M.T.; Kadu, A.; van Leeuwen, T.; Batenburg, K.J. pdf  doi
openurl 
  Title ADJUST : a dictionary-based joint reconstruction and unmixing method for spectral tomography Type A1 Journal article
  Year 2022 Publication (down) Inverse problems Abbreviated Journal Inverse Probl  
  Volume 38 Issue 12 Pages 125002-125033  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Advances in multi-spectral detectors are causing a paradigm shift in x-ray computed tomography (CT). Spectral information acquired from these detectors can be used to extract volumetric material composition maps of the object of interest. If the materials and their spectral responses are known a priori, the image reconstruction step is rather straightforward. If they are not known, however, the maps as well as the responses need to be estimated jointly. A conventional workflow in spectral CT involves performing volume reconstruction followed by material decomposition, or vice versa. However, these methods inherently suffer from the ill-posedness of the joint reconstruction problem. To resolve this issue, we propose 'A Dictionary-based Joint reconstruction and Unmixing method for Spectral Tomography' (ADJUST). Our formulation relies on forming a dictionary of spectral signatures of materials common in CT and prior knowledge of the number of materials present in an object. In particular, we decompose the spectral volume linearly in terms of spatial material maps, a spectral dictionary, and the indicator of materials for the dictionary elements. We propose a memory-efficient accelerated alternating proximal gradient method to find an approximate solution to the resulting bi-convex problem. From numerical demonstrations on several synthetic phantoms, we observe that ADJUST performs exceedingly well compared to other state-of-the-art methods. Additionally, we address the robustness of ADJUST against limited and noisy measurement patterns. The demonstration of the proposed approach on a spectral micro-CT dataset shows its potential for real-world applications. Code is available at https://github.com/mzeegers/ADJUST.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000868885200001 Publication Date 2022-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0266-5611 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.1 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.1  
  Call Number UA @ admin @ c:irua:191536 Serial 7280  
Permanent link to this record
 

 
Author Vantomme, A.; Wu, M.F.; Hogg, S.; van Landuyt, J.; et al. pdf  openurl
  Title Comparative study of structural properties and photoluminescence in InGaN layers with a high In content Type A1 Journal article
  Year 2000 Publication (down) Internet journal of nitride semiconductor research T2 – Symposium on GaN and Related Alloys Held at the MRS Fall Meeting, NOV 29-DEC 03, 1999, BOSTON, MASSACHUSETTS Abbreviated Journal Mrs Internet J N S R  
  Volume 5 Issue s:[1] Pages art. no.-W11.38  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Rutherford backscattering and channeling spectrometry (RBS), photoluminescence (PL) spectroscopy and transmission electron microscopy (TEM) have been used to investigate macroscopic and microscopic segregation in MOCVD grown InGaN layers. The PL peak energy and In content (measured by RES) were mapped at a large number of distinct points on the samples. An indium concentration of 40%, the highest measured in this work, corresponds to a PL peak of 710 nn strongly suggesting that the light-emitting regions of the sample me very indium-rich compared to the average measured by RES. Cross-sectional TEM observations show distinctive layering of the InGaN films. The TEM study further reveals that these layers consist of amorphous pyramidal contrast features with sizes of order 10 nm The composition of these specific contrast features is shown to be In-rich compared to the nitride matrix.  
  Address  
  Corporate Author Thesis  
  Publisher Materials research society Place of Publication Warrendale Editor  
  Language Wos 000090103600097 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1092-5783 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:103471 Serial 423  
Permanent link to this record
 

 
Author Annys, S.; Van Passel, S.; Dessein, J.; Ghebreyohannes, T.; Adgo, E.; Nyssen, J. pdf  doi
openurl 
  Title Small-scale irrigation expansion along the dam-regulated Tekeze River in Northern Ethiopia Type A1 Journal article
  Year 2020 Publication (down) International Journal Of Water Resources Development Abbreviated Journal Int J Water Resour D  
  Volume Issue Pages 1-22  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Based on extensive field information, farmer-led small-scale irrigation systems along the dam-regulated Tekeze River is investigated and the likelihood of future irrigation expansion within the area with modelled potential is discussed, considering facilitating and hampering factors. Due to dam-induced hydrologic alterations, downstream socio-ecological systems have strongly transformed as the irrigated area has quadrupled and the post-dam potential for perennial crop cultivation has attracted numerous migrant investors to the area, inducing inequalities but also providing opportunities. Future dam construction should involve tailored policy interventions to facilitate irrigation expansion, while safeguarding equal and sustainable access to water and land.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000569995600001 Publication Date 2020-09-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0790-0627 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.1 Times cited Open Access  
  Notes Approved Most recent IF: 3.1; 2020 IF: 2.088  
  Call Number UA @ admin @ c:irua:171952 Serial 6943  
Permanent link to this record
 

 
Author Schryvers, D.; Boullay, P.; Potapov, P.L.; Kohn, R.V.; Ball, J.M. doi  openurl
  Title Microstructures and interfaces in Ni-Al martensite: comparing HRTEM observations with continuum theories Type A1 Journal article
  Year 2002 Publication (down) International journal of solids and structures Abbreviated Journal Int J Solids Struct  
  Volume 39 Issue Pages 3543-3554  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000176752500014 Publication Date 2002-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7683; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.76 Times cited 13 Open Access  
  Notes Approved Most recent IF: 2.76; 2002 IF: 1.080  
  Call Number UA @ lucian @ c:irua:48771 Serial 2078  
Permanent link to this record
 

 
Author Hellar-Kihampa, H.; De Wael, K.; Lugwisha, E.; Van Grieken, R. pdf  doi
openurl 
  Title Water quality assessment in Pangani river basin, Tanzania : natural and anthropogenic influences on concentrations of nutrients and inorganic ions Type A1 Journal article
  Year 2013 Publication (down) International journal of river basin management Abbreviated Journal  
  Volume 11 Issue 1 Pages 55-75  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The ongoing rapid expansions of human activities and population dynamics have potential impact on the environmental quality of the Pangani river basin, one of the largest water resources in Tanzania, including possible loadings of different kinds of micro-contaminants. However, specific extents of the impacts are rather not well investigated. In this work, we assessed the environmental quality of the basin, based on seasonal characterisation of physicochemical water and sediments parameters, dissolved inorganic ions and nutrient loads. The contributions of geochemical processes and land-use practices were evaluated by multivariate correlations and principal component analysis (PCA). Hierarchical cluster analysis was used to classify similar water quality stations and identify the most and least enriched ones. Surface waters were slightly alkaline, characterised by low total dissolved solids (48652 mg/L). Extremely low oxygen concentration (2.0 mg/L) was also a cause of concern at one station. The Na+ and HCO3 − ions provided the dominant cation and anion, respectively. PCA identified weathering of carbonate and Na+ bearing rocks, gypsum dissolution and atmospheric deposition of sea-salt as the major factors controlling the ionic composition, contributing more than 60% of the spatial variance. Concentration profiles of the chemical species showed a generally low level of anthropogenic inputs, except at a few locations where nitrate and nitrite were significantly enriched above the limits of safe exposure, with patterns indicating influences of farming and livestock keeping. A seasonal difference was observed, with lower ion concentrations during the rainy season, likely due to the dilution effect of increased water discharge. The study provides new insights into the environmental quality of the basin, and indicates the need for continuous monitoring and assessment of the chemical species in the area.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2013-01-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1571-5124 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:104621 Serial 5909  
Permanent link to this record
 

 
Author Martínez-Dueñas, E.J.R.; de Jong van Coevorden, C.M.; Stukach, O.V.; Panokin, N.V.; Gielis, J.; Caratelli, D. url  doi
openurl 
  Title Electromagnetic modeling and design of a novel class of complementary split‐ring resonators Type A1 Journal article
  Year 2019 Publication (down) International journal of RF and microwave computer-aided engineering Abbreviated Journal  
  Volume 29 Issue 4 Pages e21582  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This research study reports the assessment of complementary split ring resonators based on Gielis transformation as basic elements for the design of high‐performance microwave components in printed technology. From the electromagnetic simulation of said structures, suitable equivalent circuit models are extracted and analyzed. Physical prototypes are fabricated and tested for design validation. The obtained results confirm that the adoption of supershaped geometries enables the synthesis of very compact scalable microwave filters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000460308500020 Publication Date 2018-11-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1096-4290 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:155021 Serial 7867  
Permanent link to this record
 

 
Author Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. doi  openurl
  Title Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease Type A1 Journal article
  Year 2005 Publication (down) International Journal Of Quantum Chemistry Abbreviated Journal Int J Quantum Chem  
  Volume 105 Issue 3 Pages 292-299  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000232232300009 Publication Date 2005-07-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.92 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.92; 2005 IF: 1.192  
  Call Number UA @ lucian @ c:irua:54919 Serial 30  
Permanent link to this record
 

 
Author Vande Velde, C.; Bultinck, E.; Tersago, K.; van Alsenoy, C.; Blockhuys, F. doi  openurl
  Title From anisole to 1,2,4,5-tetramethoxybenzene: theoretical study of the factors that determine the conformation of methoxy groups on a benzene ring Type A1 Journal article
  Year 2007 Publication (down) International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem  
  Volume 107 Issue 3 Pages 670-679  
  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 000242706900016 Publication Date 2006-10-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.92 Times cited 14 Open Access  
  Notes Approved Most recent IF: 2.92; 2007 IF: 1.368  
  Call Number UA @ lucian @ c:irua:60633 Serial 1279  
Permanent link to this record
 

 
Author Nikolaev, A.V.; Verberck, B.; Ionova, G.V. doi  openurl
  Title Molecular interaction energies and optimal configuration of a cubane dimer Type A1 Journal article
  Year 2010 Publication (down) International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem  
  Volume 110 Issue 5 Pages 1063-1069  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We have studied the dependence of the binding energy of a cubane dimer on the mutual orientation of and the distance between the composing monomers employing the second-order Møller-Plesset perturbation scheme (MP2) with the cc-pVDZ molecular basis set. We have found that the MP2 contribution from the molecular correlations is responsible for the bound state of the cubane dimer, whereas the Hartree-Fock contribution remains anti-bonding at all intermolecular distances. Starting with two molecules in the standard orientation and centers of mass at (0,0,0) and (0,0,d), respectively, the maximal binding energy is found at d = 5.125 Å and one of the monomers rotated by 45° about the z-axis. This configuration implies that the hydrogen atoms belonging to different monomers tend to repel each other. The results are in agreement with experimental data on the optimal packing of cubane molecules in the solid state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000274720000011 Publication Date 2009-04-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.92 Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: 2.92; 2010 IF: 1.302  
  Call Number UA @ lucian @ c:irua:81944 Serial 2179  
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