Records |
Author |
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
The structure, energetics, and harmonic vibrations of B3N |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
201 |
Issue |
|
Pages |
54-58 |
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 |
A1993KF37900010 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
Call Number |
UA @ lucian @ c:irua:6145 |
Serial |
3302 |
Permanent link to this record |
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
Title |
On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
193 |
Issue |
4 |
Pages |
243-250 |
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 |
A1992HZ32800007 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
42 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:4194 |
Serial |
2455 |
Permanent link to this record |
|
|
|
Author |
Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. |
Title |
Structure and infrared spectroscopy of the C11 molecule |
Type |
A1 Journal article |
Year |
1991 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
187 |
Issue |
|
Pages |
367-386 |
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 |
A1991GX46000005 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
42 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:718 |
Serial |
3281 |
Permanent link to this record |
|
|
|
Author |
Bosch, B.; Leleu, M.; Oustrière, P.; Sarcia, C.; Sureau, J.F.; Blommaert, W.; Gijbels, R.; Sadurski, A.; Vandelannoote, R.; Van Grieken, R.; Van 'T Dack, L.; |
Title |
Hydrogeochemistry in the zinclead mining district of Les Malines (Gard, France) |
Type |
A1 Journal article |
Year |
1986 |
Publication |
Chemical geology |
Abbreviated Journal |
Chem Geol |
Volume |
55 |
Issue |
1/2 |
Pages |
31-44 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Sensitive multi-element analysis techniques together with major-element and isotopic analyses were applied to spring, mine and surface waters in the vicinity of an important known zinclead deposit in a carbonate environment, in the Les Malines area (Gard, France). Both the dissolved and suspended phases were investigated, and concretions and sediments were also considered in some cases. This methodological test shows that the ore body leaves various clear fingerprints, such as the Zn, As, Sb, Pb and U levels in the dissolved phase, the sulfate increment and the δ 34S. Some of the elements in solution are controlled by slightly soluble compounds, e.g. Zn by smithsonite and hydrozincite, Ba by barite, and Pb by hydrocerussite. Mapping the saturation indices for these elements appears useful for displaying the hydrogeochemical anomaly. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1986C743300003 |
Publication Date |
2003-08-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2541; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.524 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
CRYSTALLOGRAPHY 19/26 Q3 # PHYSICS, CONDENSED MATTER 53/67 Q4 # |
Call Number |
UA @ lucian @ c:irua:111481 |
Serial |
1537 |
Permanent link to this record |
|
|
|
Author |
Cidu, R.; Fanfani, L.; Shaud, P.; Edmunds, W.M.; Van 't dack, L.; Gijbels, R. |
Title |
Determination of gold at the ultratrace level in natural waters |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
Anal Chim Acta |
Volume |
296 |
Issue |
|
Pages |
295-304 |
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 |
A1994PM14000010 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2670; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.513 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10252 |
Serial |
668 |
Permanent link to this record |
|
|
|
Author |
Struyf, H.; van Roy, W.; van Vaeck, L.; van Grieken, R.; Gijbels, R.; Caravatti, P. |
Title |
Laser microprobe Fourier transform mass spectrometer with external ion source for organic and inorganic microanalysis |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
Anal Chim Acta |
Volume |
283 |
Issue |
|
Pages |
139-151 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1993MK02800013 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2670; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.513 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:6141 |
Serial |
1793 |
Permanent link to this record |
|
|
|
Author |
Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. |
Title |
Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Waste and biomass valorization |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
1-12 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
Abstract |
Purpose Natural deep eutectic solvents (NADES) represent a green alternative to conventional organic solvents as reaction medium, offering more benign properties. To efficiently design NADES for biocatalysis, a better understanding of their effect on these reactions is needed. We hypothesize that this effect can be described by separately considering (1) the solvent interactions with the substrates, (2) the solvent viscosities and (3) the enzyme stability in NADES. Methods We investigated the effect of substrate solvation and viscosity on the reaction rate; and the stability of the enzyme in NADES. To this end, we monitored the conversion over time of the transesterification of vinyl laurate with 1- butanol by the lipase enzyme Candida antarctica B in NADES of different compounds and molar ratios. Results The initial reaction rate is higher in most NADES ( varying between 1.14 and 15.07 mu mol min(-1) mg(-1)) than in the reference n-hexane (4.0 mu mol min(-1) mg(-1))), but no clear relationship between viscosity and initial reaction rate was found. The increased reaction rate is most likely related to the solvation of the substrate due to a change in the activation energy of the reaction or a change in the conformation of the substrate. The enzyme retained part of its activity after the first 2 h of reaction (on average 20 % of the substrate reacted in the 2-24 h period). Enzyme incubation in ethylene glycol-based NADES resulted in a reduced reaction rate ( 15.07 vs. 3.34 mu mol min(-1) mg(-1)), but this may also be due to slow dissolution of the substrate. Conclusions The effect of viscosity seems to be marginal next to the effect of solvation and possible enzyme-NADES interaction. The enzyme retains some of its activity during the 24-hour measurements, but the enzyme incubation experiments did not yield accurate, comparable values. [GRAPHICS] . |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
|
Language |
|
Wos |
001117290800003 |
Publication Date |
2023-12-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1877-2641; 1877-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.2 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.2; 2023 IF: 1.337 |
Call Number |
UA @ admin @ c:irua:202709 |
Serial |
9005 |
Permanent link to this record |
|
|
|
Author |
van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. |
Title |
Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nano Research |
Abbreviated Journal |
Nano Res |
Volume |
9 |
Issue |
9 |
Pages |
3394-3406 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work, a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide (TMD) bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green's functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000386770300018 |
Publication Date |
2016-08-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1998-0124 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.354 |
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.354 |
Call Number |
UA @ lucian @ c:irua:138210 |
Serial |
4469 |
Permanent link to this record |
|
|
|
Author |
Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A. |
Title |
Vibrational properties of silicene and germanene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Nano Research |
Abbreviated Journal |
Nano Res |
Volume |
6 |
Issue |
1 |
Pages |
19-28 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predict that the silicene (germanene) structure with a small buckling of 0.44 (0.7 ) and bond lengths of 2.28 (2.44 ) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene is characterized by a main peak at about 575 cm(-1), namely the G-like peak. For germanene, the highest peak is at about 290 cm(-1). Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm(-1) for silicene and 270 cm(-1) for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000313658800003 |
Publication Date |
2012-12-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1998-0124;1998-0000; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.354 |
Times cited |
105 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.354; 2013 IF: 6.963 |
Call Number |
UA @ lucian @ c:irua:110106 |
Serial |
3846 |
Permanent link to this record |
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|
|
Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. |
Title |
Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nano Research |
Abbreviated Journal |
Nano Res |
Volume |
5 |
Issue |
1 |
Pages |
43-48 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000299085200006 |
Publication Date |
2011-11-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1998-0124;1998-0000; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.354 |
Times cited |
407 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.354; 2012 IF: 7.392 |
Call Number |
UA @ lucian @ c:irua:96262 |
Serial |
3169 |
Permanent link to this record |
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|
|
Author |
Neyts, E.C. |
Title |
Special Issue on future directions in plasma nanoscience |
Type |
Editorial |
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
Volume |
13 |
Issue |
2 |
Pages |
199-200 |
Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000468848400001 |
Publication Date |
2019-05-14 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.712 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 1.712 |
Call Number |
UA @ admin @ c:irua:160277 |
Serial |
5280 |
Permanent link to this record |
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|
|
Author |
Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. |
Title |
Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
Volume |
13 |
Issue |
2 |
Pages |
324-329 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
|
Language |
|
Wos |
000468848400009 |
Publication Date |
2019-03-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.712 |
Times cited |
3 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 1.712 |
Call Number |
UA @ admin @ c:irua:160278 |
Serial |
5276 |
Permanent link to this record |
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|
|
Author |
Neyts, E.C. |
Title |
Atomistic simulations of plasma catalytic processes |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
Volume |
12 |
Issue |
1 |
Pages |
145-154 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
There is currently a growing interest in the realisation and optimization of hybrid plasma/catalyst systems for a multitude of applications, ranging from nanotechnology to environmental chemistry. In spite of this interest, there is, however, a lack in fundamental understanding of the underlying processes in such systems. While a lot of experimental research is already being carried out to gain this understanding, only recently the first simulations have appeared in the literature. In this contribution, an overview is presented on atomic scale simulations of plasma catalytic processes as carried out in our group. In particular, this contribution focusses on plasma-assisted catalyzed carbon nanostructure growth, and plasma catalysis for greenhouse gas conversion. Attention is paid to what can routinely be done, and where challenges persist. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
|
Language |
|
Wos |
000425156500017 |
Publication Date |
2017-09-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.712 |
Times cited |
5 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 1.712 |
Call Number |
UA @ lucian @ c:irua:149233 |
Serial |
4927 |
Permanent link to this record |
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|
|
Author |
Neyts, E.C. |
Title |
The role of ions in plasma catalytic carbon nanotube growth : a review |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
Volume |
9 |
Issue |
9 |
Pages |
154-162 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
While it is well-known that the plasma-enhanced catalytic chemical vapor deposition (PECVD) of carbon nanotubes (CNTs) offers a number of advantages over thermal CVD, the influence of the various individual contributing factors is not well understood. Especially the role of ions is unclear, since ions in plasmas are generally associated with sputtering rather than with growing a material. Even so, various studies have demonstrated the beneficial effects of ion bombardment during the growth of CNTs. This review looks at the role of the ions in plasma-enhanced CNT growth as deduced from both experimental and simulation studies. Specific attention is paid to the beneficial effects of ion bombardment. Based on the available literature, it can be concluded that ions can be either beneficial or detrimental for carbon nanotube growth, depending on the exact conditions and the control over the growth process. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000360319600003 |
Publication Date |
2015-06-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2095-0179 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.712 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.712; 2015 IF: NA |
Call Number |
UA @ lucian @ c:irua:127815 |
Serial |
4239 |
Permanent link to this record |
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|
|
Author |
Clima, S.; Belmonte, A.; Degraeve, R.; Fantini, A.; Goux, L.; Govoreanu, B.; Jurczak, M.; Ota, K.; Redolfi, A.; Kar, G.S.; Pourtois, G. |
Title |
Kinetic and thermodynamic heterogeneity : an intrinsic source of variability in Cu-based RRAM memories |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of computational electronics |
Abbreviated Journal |
J Comput Electron |
Volume |
16 |
Issue |
4 |
Pages |
1011-1016 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
<script type='text/javascript'>document.write(unpmarked('The resistive random-access memory (RRAM) device concept is close to enabling the development of a new generation of non-volatile memories, provided that their reliability issues are properly understood. The design of a RRAM operating with extrinsic defects based on metallic inclusions, also called conductive bridge RAM, allows the use of a large spectrum of solid electrolytes. However, when scaled to device dimensions that meet the requirements of the latest technological nodes, the discrete nature of the atomic structure of the materials impacts the device operation. Using density functional theory simulations, we evaluated the migration kinetics of Cu conducting species in amorphous and solid electrolyte materials, and established that atomic disorder leads to a large variability in terms of defect stability and kinetic barriers. This variability has a significant impact on the filament resistance and its dynamics, as evidenced during the formation step of the resistive filament. Also, the atomic configuration of the formed filament can age/relax to another metastable atomic configuration, and lead to a modulation of the resistivity of the filament. All these observations are qualitatively explained on the basis of the computed statistical distributions of the defect stability and on the kinetic barriers encountered in RRAM materials.')); |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Place of publication unknown |
Editor |
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Language |
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Wos |
000417598100004 |
Publication Date |
2017-08-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1569-8025 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.526 |
Times cited |
2 |
Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: 1.526 |
Call Number |
UA @ lucian @ c:irua:148569 |
Serial |
4883 |
Permanent link to this record |
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Author |
Sorée, B.; Magnus, W.; Pourtois, G. |
Title |
Analytical and self-consistent quantum mechanical model for a surrounding gate MOS nanowire operated in JFET mode |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of computational electronics |
Abbreviated Journal |
J Comput Electron |
Volume |
7 |
Issue |
3 |
Pages |
380-383 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We derive an analytical model for the electrostatics and the drive current in a silicon nanowire operating in JFET mode. We show that there exists a range of nanowire radii and doping densities for which the nanowire JFET satisfies reasonable device characteristics. For thin nanowires we have developed a self-consistent quantum mechanical model to obtain the electronic structure. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
000208473800067 |
Publication Date |
2008-02-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1569-8025;1572-8137; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.526 |
Times cited |
70 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.526; 2008 IF: NA |
Call Number |
UA @ lucian @ c:irua:89504 |
Serial |
107 |
Permanent link to this record |
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Author |
Ignatova, V.A.; Lebedev, O.I.; Wätjen, U.; van Vaeck, L.; van Landuyt, J.; Gijbels, R.; Adams, F. |
Title |
Observation of Sb203 nanocrystals in SiO2 after Sb ion implantation |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Microchimica acta |
Abbreviated Journal |
Microchim Acta |
Volume |
139 |
Issue |
|
Pages |
77-81 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Wien |
Editor |
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Language |
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Wos |
000175560300012 |
Publication Date |
2003-03-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0026-3672;1436-5073; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.58 |
Times cited |
3 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 4.58; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:38378 |
Serial |
2420 |
Permanent link to this record |
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Author |
Van 't dack, L.; Gijbels, R.; Walker, C.T. |
Title |
Modern developments and applications in microbeam analysis: proceedings of the 10th Workshop of the European Microbeam Analysis Society (EMAS), Antwerp, Belgium, May 6-10, 2007 |
Type |
Editorial |
Year |
2008 |
Publication |
Microchimica acta |
Abbreviated Journal |
Microchim Acta |
Volume |
161 |
Issue |
3/4 |
Pages |
285-286 |
Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000256175600001 |
Publication Date |
2008-05-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0026-3672;1436-5073; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.58 |
Times cited |
1 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 4.58; 2008 IF: 1.910 |
Call Number |
UA @ lucian @ c:irua:69291 |
Serial |
2157 |
Permanent link to this record |
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Author |
Bogaerts, A.; Grozeva, M. |
Title |
Effect of helium/argon gas ratio in a He-Ar-Cu+ IR hollow-cathode discharge laser : modeling study and comparison with experiments |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Applied physics B : lasers and optics |
Abbreviated Journal |
Appl Phys B-Lasers O |
Volume |
76 |
Issue |
3 |
Pages |
299-306 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The He-Ar-Cu+ IR laser operates in a hollow-cathode discharge, typically in a mixture of helium with a few-% Ar. The population inversion of the Cu+ ion levels, responsible for laser action, is attributed to asymmetric charge transfer between He+ ions and sputtered Cu atoms. The Ar gas is added to promote sputtering of the Cu cathode. In this paper, a hybrid modeling network consisting of several different models for the various plasma species present in a He-Ar-Cu hollow-cathode discharge is applied to investigate the effect of Ar concentration in the gas mixture on the discharge behavior, and to find the optimum He/Ar gas ratio for laser operation. It is found that the densities of electrons, Ar+ ions, Ar-m* metastable atoms, sputtered Cu atoms and Cu+ ions increase upon the addition of more Ar gas, whereas the densities of He+ ions, He-2(+) ions and He-m* metastable atoms drop considerably. The product of the calculated Cu atom and He+ ion densities, which determines the production rate of the upper laser levels, and hence probably also the laser output power, is found to reach a maximum around 1-5% Ar addition. This calculation result is compared to experimental measurements, and reasonable agreement has been reached. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000182758000017 |
Publication Date |
2004-03-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0946-2171;1432-0649; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.696 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.696; 2003 IF: 2.012 |
Call Number |
UA @ lucian @ c:irua:104125 |
Serial |
812 |
Permanent link to this record |
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Author |
Bogaerts, A.; Grozeva, M. |
Title |
Axial non-uniformity of longitudinal hollow cathode discharges for laser applications: numerical modeling and comparison with experiments |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Applied physics: B: photo-physics and laser chemistry |
Abbreviated Journal |
Appl Phys B-Lasers O |
Volume |
75 |
Issue |
|
Pages |
731-738 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000180587100019 |
Publication Date |
2004-03-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0946-2171;1432-0649; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.696 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.696; 2002 IF: 2.080 |
Call Number |
UA @ lucian @ c:irua:44007 |
Serial |
211 |
Permanent link to this record |
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Author |
Ignatova, V.A.; Möller, W.; Conard, T.; Vandervorst, W.; Gijbels, R. |
Title |
Interpretation of TOF-SIMS depth profiles from ultrashallow high-k dielectric stacks assisted by hybrid collisional computer simulation |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
Volume |
81 |
Issue |
1 |
Pages |
71-77 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Heidelberg |
Editor |
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Language |
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Wos |
000228794000013 |
Publication Date |
2005-04-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0947-8396;1432-0630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.455 |
Times cited |
4 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 1.455; 2005 IF: 1.990 |
Call Number |
UA @ lucian @ c:irua:60085 |
Serial |
1711 |
Permanent link to this record |
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Author |
Robben, J.; Dufour, D.; Gijbels, R. |
Title |
Design and development of a new program for data processing of mass spectra acquired by means of a high-resolution double-focusing glow-discharge mass spectrometer |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Fresenius' journal of analytical chemistry |
Abbreviated Journal |
Fresen J Anal Chem |
Volume |
370 |
Issue |
|
Pages |
663-670 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000170115200033 |
Publication Date |
2002-10-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0937-0633;1432-1130; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:37252 |
Serial |
657 |
Permanent link to this record |
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Author |
Lenaerts, J.; Verlinden, G.; Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Geuens, I. |
Title |
Modeling of the sputtering process of cubic silver halide microcrystals and its relevance in depth profiling by secondary ion-mass spectrometry (SIMS) |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Fresenius' journal of analytical chemistry |
Abbreviated Journal |
Fresen J Anal Chem |
Volume |
370 |
Issue |
5 |
Pages |
654-662 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000170115200032 |
Publication Date |
2002-10-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0937-0633;1432-1130; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
3 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:37251 |
Serial |
2135 |
Permanent link to this record |
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Author |
Bogaerts, A.; Gijbels, R. |
Title |
New developments and applications in GDMS |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Fresenius' journal of analytical chemistry |
Abbreviated Journal |
Fresen J Anal Chem |
Volume |
364 |
Issue |
|
Pages |
367-375 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000081637500002 |
Publication Date |
2002-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0937-0633;1432-1130; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
17 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:24923 |
Serial |
2311 |
Permanent link to this record |
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Author |
Bogaerts, A.; Gijbels, R. |
Title |
Three-dimensional modeling of a direct current glow discharge in argon: is it better than one-dimensional modeling? |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Fresenius' journal of analytical chemistry |
Abbreviated Journal |
Fresen J Anal Chem |
Volume |
359 |
Issue |
|
Pages |
331-337 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
A1997YC02800005 |
Publication Date |
2002-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0937-0633;1432-1130; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
9 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:19608 |
Serial |
3654 |
Permanent link to this record |
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Author |
Gijbels, R.; Bogaerts, A. |
Title |
Recent trends in solids mass spectrometry: GDMS and other methods |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Fresenius' journal of analytical chemistry |
Abbreviated Journal |
Fresen J Anal Chem |
Volume |
359 |
Issue |
|
Pages |
326-330 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
A1997YC02800004 |
Publication Date |
2002-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0937-0633;1432-1130; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:19607 |
Serial |
2841 |
Permanent link to this record |
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Author |
Martens, T.; Bogaerts, A.; Brok, W.; van Dijk, J. |
Title |
Computer simulations of a dielectric barrier discharge used for analytical spectrometry |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
Volume |
388 |
Issue |
8 |
Pages |
1583-1594 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000248373300005 |
Publication Date |
2007-04-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1618-2642;1618-2650; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.431 |
Times cited |
28 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.431; 2007 IF: 2.867 |
Call Number |
UA @ lucian @ c:irua:65036 |
Serial |
466 |
Permanent link to this record |
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Author |
Neyts, E.C.; Bogaerts, A. |
Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000318294700010 |
Publication Date |
2012-12-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1432-881X;1432-2234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.89 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
Permanent link to this record |
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Author |
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. |
Title |
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
Volume |
131 |
Issue |
7 |
Pages |
1238 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000307274300003 |
Publication Date |
2012-07-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1432-881X;1432-2234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.89 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.89; 2012 IF: 2.233 |
Call Number |
UA @ lucian @ c:irua:101139 |
Serial |
2935 |
Permanent link to this record |
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Author |
Oleshko, V.; Volkov, V.; Gijbels, R.; Jacob, W.; Vargaftik, M.; Moiseev, I.; Van Tendeloo, G. |
Title |
High-resolution electron microscopy and electron energy-loss spectroscopy of giant palladium clusters |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Zeitschrift für Physik : D : atoms, molecules and clusters |
Abbreviated Journal |
|
Volume |
34 |
Issue |
|
Pages |
283-291 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
A1995RY37000010 |
Publication Date |
2005-04-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0178-7683;1434-6079; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:12276 |
Serial |
1444 |
Permanent link to this record |