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Author | Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. | ||||
Title | The study of carbon nanotubules produced by catalytic method | Type | A1 Journal article | ||
Year | 1994 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 223 | Issue | 4 | Pages | 329-335 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Catalytic methods for the production of carbon nanotubules have been developed based on the decomposition of acetylene on well-dispersed metal particles strongly adsorbed on a support. Cobalt on silica was found to be the best catalyst-support combination for the production of graphitic tubules. The method for the catalyst preparation and the reaction conditions were optimized. Straight and coiled carbon tubules were obtained with inner and outer diameter of 3-7 and 15-20 nm, respectively, and up to 30 mum in length. These nanotubules were not coated by amorphous carbon. Traces of amorphous carbon could be removed by hydrogen. High resolution electron microscopy images and electron diffraction patterns of the straight nanotubules were similar to those obtained by the arc-discharge method. Coiled nanotubules were revealed by TEM to be regular polygonized helices where the bends are caused by pairs of pentagon-heptagon carbon rings among the hexagonal network. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994NT08000011 | 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 | 405 | Open Access | |
Notes | Approved | PHYSICS, APPLIED 47/145 Q2 # | |||
Call Number | UA @ lucian @ c:irua:99869 | Serial | 3595 | ||
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Author | Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G. | ||||
Title | Formation of carbon nitride nanospheres by ion implantation | Type | A1 Journal article | ||
Year | 2007 | Publication | Materials chemistry and physics | Abbreviated Journal | Mater Chem Phys |
Volume | 103 | Issue | 2-3 | Pages | 290-294 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Carbon nitride nanospheres have been synthesized into copper by simultaneous high fluence (10(18) at. cm(-2)) implantations of C-12 and N-15 ions. The composition of the implanted region has been measured using C-12(d,p(0))C-13 and N-15(d,alpha(0))C-13 nuclear reactions induced by a 1.05 MeV deuteron beam. The C-12 and N-15 depth profiles are very close and the retained doses into copper are relatively high, which indicates that carbon and nitrogen diffusion processes are likely limited during implantation. High resolution transmission electron microscopy (HRTEM) observations and electron diffraction (ED) analyses have been carried out to determine the structure of the nanospheres formed during implantation. Some consist in small hollow amorphous nanocapsules with sizes ranging from 30 to 100 nm. Large gas bubbles with diameters up to 300 mn have also been observed in the copper matrix. Electron energy-loss spectroscopy (EELS) measurements performed on the small nanocapsules indicate that their shells are composed of carbon and nitrogen. (c) 2007 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000247715300016 | Publication Date | 2007-02-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0254-0584; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.084 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 2.084; 2007 IF: 1.871 | |||
Call Number | UA @ lucian @ c:irua:102670 | Serial | 1258 | ||
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Author | Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M. | ||||
Title | Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study | Type | A1 Journal article | ||
Year | 2013 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 556 | Issue | Pages | 163-167 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000313644100032 | Publication Date | 2012-11-28 | |
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 | 1.815 | Times cited | 3 | Open Access | |
Notes | Approved | Most recent IF: 1.815; 2013 IF: 1.991 | |||
Call Number | UA @ lucian @ c:irua:110085 | Serial | 3132 | ||
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Author | Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. | ||||
Title | Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 152 | Issue | 16 | Pages | 164116-164118 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000531819100001 | Publication Date | 2020-04-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.4 | Times cited | 14 | Open Access | |
Notes | ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 4.4; 2020 IF: 2.965 | ||
Call Number | UA @ admin @ c:irua:169543 | Serial | 6615 | ||
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Author | Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. | ||||
Title | Free energy barriers from biased molecular dynamics simulations | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 153 | Issue | 11 | Pages | 114118 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Atomistic simulation methods for the quantification of free energies are in wide use. These methods operate by sampling the probability density of a system along a small set of suitable collective variables (CVs), which is, in turn, expressed in the form of a free energy surface (FES). This definition of the FES can capture the relative stability of metastable states but not that of the transition state because the barrier height is not invariant to the choice of CVs. Free energy barriers therefore cannot be consistently computed from the FES. Here, we present a simple approach to calculate the gauge correction necessary to eliminate this inconsistency. Using our procedure, the standard FES as well as its gauge-corrected counterpart can be obtained by reweighing the same simulated trajectory at little additional cost. We apply the method to a number of systems—a particle solvated in a Lennard-Jones fluid, a Diels–Alder reaction, and crystallization of liquid sodium—to demonstrate its ability to produce consistent free energy barriers that correctly capture the kinetics of chemical or physical transformations, and discuss the additional demands it puts on the chosen CVs. Because the FES can be converged at relatively short (sub-ns) time scales, a free energy-based description of reaction kinetics is a particularly attractive option to study chemical processes at more expensive quantum mechanical levels of theory. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000574665600004 | Publication Date | 2020-09-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.4 | Times cited | Open Access | ||
Notes | Japan Society for the Promotion of Science, 19H02415 18J22727 ; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; This work was supported, in part, by a Grant-in-Aid for Scientific Research (B) (Grant No. 19H02415) and Grant-in-Aid for a JSPS Research Fellow (Grant No. 18J22727) from the Japan Society for the Promotion of Science (JSPS), Japan. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant No. 12ZI420N. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. The authors are grateful to Pablo Piaggi for making the pair entropy CV code publicly available. | Approved | Most recent IF: 4.4; 2020 IF: 2.965 | ||
Call Number | PLASMANT @ plasmant @c:irua:172456 | Serial | 6420 | ||
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Author | Bal, K.M.; Neyts, E.C. | ||||
Title | Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 20 | Issue | 13 | Pages | 8456-8459 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000428779700007 | Publication Date | 2018-03-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 8 | Open Access | OpenAccess |
Notes | K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Research Foundation – Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government – department EWI. | Approved | Most recent IF: 4.123 | ||
Call Number | PLASMANT @ plasmant @c:irua:150357 | Serial | 4916 | ||
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Author | Georgieva, V.; Todorov, I.T.; Bogaerts, A. | ||||
Title | Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential | Type | A1 Journal article | ||
Year | 2010 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 485 | Issue | 4/6 | Pages | 315-319 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000273782600010 | Publication Date | 2010-01-05 | |
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 | 1.815 | Times cited | 16 | Open Access | |
Notes | Approved | Most recent IF: 1.815; 2010 IF: 2.282 | |||
Call Number | UA @ lucian @ c:irua:80023 | Serial | 2170 | ||
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Author | Lamoen, D.; Michel, K.H. | ||||
Title | Crystal field, orientational order, and lattice contraction in solid C60 | Type | A1 Journal article | ||
Year | 1994 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 101 | Issue | Pages | 1435-1443 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | A1994NW97900058 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 39 | Open Access | |
Notes | Approved | CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # | |||
Call Number | UA @ lucian @ c:irua:9361 | Serial | 554 | ||
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Author | Michel, K.H. | ||||
Title | Molecular structure and orientational ordering in solid C60 | Type | A1 Journal article | ||
Year | 1992 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 97 | Issue | 7 | Pages | 5155-5162 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | A1992JR33800062 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 20 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:2973 | Serial | 2185 | ||
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Author | Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. | ||||
Title | A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 19 | Issue | 40 | Pages | 27866-27877 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A combined experimental and first-principles study is performed to study the origin of conductivity in ZnO:Al nanoparticles synthesized under controlled conditions via a reflux route using benzylamine as a solvent. The experimental characterization of the samples by Raman, nuclear magnetic resonance (NMR) and conductivity measurements indicates that upon annealing in nitrogen, the Al atoms at interstitial positions migrate to the substitutional positions, creating at the same time Zn interstitials. We provide evidence for the fact that the formed complex of AlZn and Zni corresponds to the origin of the Knight shifted peak (KS) we observe in 27Al NMR. As far as we know, the role of this complex has not been discussed in the literature to date. However, our first-principles calculations show that such a complex is indeed energetically favoured over the isolated Al interstitial positions. In our calculations we also address the charge state of the Al interstitials. Further, Zn interstitials can migrate from Al_Zn and possibly also form Zn clusters, leading to the observed increased conductivity. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000413290500073 | Publication Date | 2017-10-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 26 | Open Access | OpenAccess |
Notes | We want to thank the Interuniversity Attraction Poles Programme (P7/05) initiated by the Belgian Science Policy Office (BELSPO) for the financial support. We also acknowledge the Research Foundation Flanders (FWO-Vlaanderen) for support via the MULTIMAR WOG project and under project No. G018914. The computational parts were carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules foundation and the Flemish Government (EWI Department). | Approved | Most recent IF: 4.123 | ||
Call Number | EMAT @ emat @c:irua:146878 | Serial | 4760 | ||
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Author | Sanchez-Barriga, J.; Ogorodnikov, I.I.; Kuznetsov, M.V.; Volykhov, A.A.; Matsui, F.; Callaert, C.; Hadermann, J.; Verbitskiy, N.I.; Koch, R.J.; Varykhalov, A.; Rader, O.; Yashina, L.V. | ||||
Title | Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3 | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 19 | Issue | 45 | Pages | 30520-30532 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi2Te3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi2Te3 leading to the formation of septuple layers of Bi3Te4 within a distance of similar to 25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.')); | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000416054400023 | Publication Date | 2017-10-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 4 | Open Access | OpenAccess |
Notes | ; The authors acknowledge financial support within the bilateral program “Russian-German Laboratory at BESSY II” and thank Helmholtz Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and U49-PGM1. The Supercomputing Center of Lomonosov Moscow State University is gratefully acknowledged for granting access to the “Lomonosov” supercomputer. The work was partially supported by DFG priority program SPP 1666, Impuls- und Vernetzungsfonds der Helmholtz-Gemeinschaft (Grant No. HRJRG-408) and Russian Foundation for Basic Research (Grants No. 13-02-91327 and No. 16-29-06410). C. C. acknowledges support from the University of Antwerp through the BOF grant 31445. The authors thank Dr Vera Neudachina, Daria Tsukanova, Dr Elmar Kataev and Dr Maria Batuk for their support during the XPS and TEM experiments. ; | Approved | Most recent IF: 4.123 | ||
Call Number | UA @ lucian @ c:irua:147659 | Serial | 4888 | ||
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Author | Payne, L.M.; Masia, F.; Zilli, A.; Albrecht, W.; Borri, P.; Langbein, W. | ||||
Title | Quantitative morphometric analysis of single gold nanoparticles by optical extinction microscopy: Material permittivity and surface damping effects | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 154 | Issue | 4 | Pages | 044702 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000630495600001 | Publication Date | 2021-01-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | Open Access | OpenAccess | |
Notes | This work was supported by the Welsh Government Life Sciences Bridging Fund (Grant No. LSBF/R6-005), the UK EPSRC (Grant Nos. EP/I005072/1 and EP/M028313/1), and the European Commission (Grant No. EUSMI E191000350). P.B. acknowledges the Royal Society for her Wolfson research merit award (Grant No. WM140077). F.M. acknowledges the Ser Cymru II programme (Case ID 80762-CU-148) which is part-funded by Cardiff University and the European Regional Development Fund through the Welsh Government. W.A. acknowledges an Individual Fellowship from the Marie Skłodowska-Curie actions (MSCA) under the EU’s Horizon 2020 program (Grant No. 797153, SOPMEN) and Sara Bals for supporting the STEM measurements. The brightfield TEM was performed by Thomas Davies at Cardiff University. We acknowledge Iestyn Pope for technical support of the optical equipment. | Approved | Most recent IF: 2.965 | ||
Call Number | EMAT @ emat @c:irua:177566 | Serial | 6748 | ||
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Author | Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule | Type | A1 Journal article | ||
Year | 1994 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 222 | Issue | Pages | 517-523 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994NN02600016 | 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 | 14 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10255 | Serial | 36 | ||
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Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | Ab initio study of the structure, infrared spectra and heat of formation of C4 | Type | A1 Journal article | ||
Year | 1991 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 94 | Issue | Pages | 3753-3761 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | A1991FA77800052 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 62 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:715 | Serial | 38 | ||
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Author | Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | An ab initio study of the C3+ cation using multireference methods | Type | A1 Journal article | ||
Year | 1991 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 95 | Issue | Pages | 6530-6534 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record | |
Impact Factor | 2.952 | Times cited | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:720 | Serial | 39 | ||
Permanent link to this record | |||||
Author | Lamoen, D.; Persson, B.N.J. | ||||
Title | Adsorption of potassium and oxygen on graphite: a theoretical study | Type | A1 Journal article | ||
Year | 1998 | Publication | Journal Of Chemical Physics | Abbreviated Journal | J Chem Phys |
Volume | 108 | Issue | Pages | 3332-3341 | |
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 | 000074379600032 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 91 | Open Access | |
Notes | Approved | Most recent IF: 2.965; 1998 IF: 3.147 | |||
Call Number | UA @ lucian @ c:irua:19420 | Serial | 64 | ||
Permanent link to this record | |||||
Author | Ning, Y.; Zhang, X.; Wang, Y.; Sun, Y.; Shen, L.; Yang, X.; Van Tendeloo, G. | ||||
Title | Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst | Type | A1 Journal article | ||
Year | 2002 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 366 | Issue | 5/6 | Pages | 555-560 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000179484300017 | Publication Date | 2002-12-03 | |
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 | 1.815 | Times cited | 41 | Open Access | |
Notes | Approved | Most recent IF: 1.815; 2002 IF: 2.526 | |||
Call Number | UA @ lucian @ c:irua:54776 | Serial | 262 | ||
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Author | Colomer, J.-F.; Benoit, J.-M.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Nagy, J.B. | ||||
Title | Characterization of single-wall carbon nanotubes produced by CCVD method | Type | A1 Journal article | ||
Year | 2001 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 345 | Issue | Pages | 11-17 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000171066300003 | 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 | 1.815 | Times cited | 45 | Open Access | |
Notes | Approved | Most recent IF: 1.815; 2001 IF: 2.364 | |||
Call Number | UA @ lucian @ c:irua:54775 | Serial | 332 | ||
Permanent link to this record | |||||
Author | Nikolaev, A.V.; Prassides, K.; Michel, K.H. | ||||
Title | Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides | Type | A1 Journal article | ||
Year | 1998 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 108 | Issue | Pages | 4912-4923 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000072588400025 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.965 | Times cited | 14 | Open Access | |
Notes | Approved | Most recent IF: 2.965; 1998 IF: 3.147 | |||
Call Number | UA @ lucian @ c:irua:23985 | Serial | 338 | ||
Permanent link to this record | |||||
Author | Bittencourt, C.; Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Erni, R.; Van Tendeloo, G. | ||||
Title | Decorating carbon nanotubes with nickel nanoparticles | Type | A1 Journal article | ||
Year | 2007 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 436 | Issue | 4/6 | Pages | 368-372 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000245302000013 | Publication Date | 2007-01-28 | |
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 | 1.815 | Times cited | 78 | Open Access | |
Notes | Ia-Sfs; Pai 5/1 | Approved | Most recent IF: 1.815; 2007 IF: 2.207 | ||
Call Number | UA @ lucian @ c:irua:64310 | Serial | 611 | ||
Permanent link to this record | |||||
Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers | Type | A1 Journal article | ||
Year | 1992 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 96 | Issue | 10 | Pages | 7633-7645 |
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 | A1992HU55700047 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 59 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:4195 | Serial | 1206 | ||
Permanent link to this record | |||||
Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers | Type | A1 Journal article | ||
Year | 1992 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 97 | Issue | 5 | Pages | 3530-3536 |
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 | A1992JL37200072 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 22 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:4197 | Serial | 1207 | ||
Permanent link to this record | |||||
Author | Lamoen, D.; Parrinello, M. | ||||
Title | Geometry and electronic structure of porphyrines and porphyrazines | Type | A1 Journal article | ||
Year | 1996 | Publication | Chemical Physics Letters | Abbreviated Journal | Chem Phys Lett |
Volume | 248 | Issue | Pages | 309 | |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1996TR41900002 | Publication Date | 0000-00-00 | |
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 | 46 | Open Access | |
Notes | Approved | CHEMISTRY, PHYSICAL 88/144 Q3 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 19/35 Q3 # | |||
Call Number | UA @ lucian @ c:irua:15821 | Serial | 1329 | ||
Permanent link to this record | |||||
Author | Neyts, E.; Bogaerts, A. | ||||
Title | Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study | Type | A1 Journal article | ||
Year | 2006 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 8 | Issue | 17 | Pages | 2066-2071 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000236970300011 | Publication Date | 2006-03-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 4.123; 2006 IF: 2.892 | |||
Call Number | UA @ lucian @ c:irua:57353 | Serial | 1625 | ||
Permanent link to this record | |||||
Author | Ahenach, J.; Cool, P.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. | ||||
Title | Influence of water on the pillaring of montmorillonite with aminopropyltriethoxysilane | Type | A1 Journal article | ||
Year | 1999 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 1 | Issue | Pages | 3703-3708 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000081765300046 | Publication Date | 2002-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076;1463-9084; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 10 | Open Access | |
Notes | Approved | Most recent IF: 4.123; 1999 IF: NA | |||
Call Number | UA @ lucian @ c:irua:28250 | Serial | 1660 | ||
Permanent link to this record | |||||
Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | On the effect of centrifugal stretching on the rotational partition function of an asymmetric top | Type | A1 Journal article | ||
Year | 1991 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 95 | Issue | Pages | 8374-8389 | |
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 | A1991GR66500062 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 12 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:716 | Serial | 2434 | ||
Permanent link to this record | |||||
Author | Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | On the heat formation of C8 and higher carbon clusters (letter to the editor) | Type | A1 Journal article | ||
Year | 1991 | Publication | The journal of chemical physics | Abbreviated Journal | J Chem Phys |
Volume | 95 | Issue | Pages | 9420-9421 | |
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 | A1991GV82500076 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-9606 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.952 | Times cited | 27 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:719 | Serial | 2437 | ||
Permanent link to this record | |||||
Author | Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. | ||||
Title | On the relative stabilities of the linear and triangular forms of B3N | Type | A1 Journal article | ||
Year | 1993 | Publication | Chemical physics | Abbreviated Journal | Chem Phys |
Volume | 178 | Issue | Pages | 77-82 | |
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 | A1993MP94200006 | Publication Date | 2002-07-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0301-0104; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.652 | Times cited | 9 | Open Access | |
Notes | Approved | CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 # | |||
Call Number | UA @ lucian @ c:irua:6150 | Serial | 2453 | ||
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. | ||||
Title | Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 | Type | A1 Journal article | ||
Year | 1992 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
Volume | 189 | Issue | 6 | Pages | 529-536 |
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 | A1992HF18100008 | Publication Date | 0000-00-00 | |
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 | 50 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:4193 | Serial | 2685 | ||
Permanent link to this record |