nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio calculation of electron affinities of diamond surfaces
|
Rutter, M.J. |
|
1998 |
10 |
1-4 |
p. 330-333 4 p. |
artikel |
2 |
Ab initio calculation of excitonic effects in realistic materials
|
Albrecht, Stefan |
|
1998 |
10 |
1-4 |
p. 356-361 6 p. |
artikel |
3 |
Ab initio study of the chemical role of carbon within TiAl alloy system: Application to composite materials
|
Matar, S.F. |
|
1998 |
10 |
1-4 |
p. 314-318 5 p. |
artikel |
4 |
Ab initio supported model simulations of ferroelectric perovskites
|
Sepliarsky, M. |
|
1998 |
10 |
1-4 |
p. 51-56 6 p. |
artikel |
5 |
A combination of atomic and continuum models describing the evolution of nanoclusters
|
Strobel, M. |
|
1998 |
10 |
1-4 |
p. 457-462 6 p. |
artikel |
6 |
A comparative study of the atomic and electronic structure of F centers in ferroelectric KNbO3: Ab initio and semi-empirical calculations
|
Kotomin, E.A. |
|
1998 |
10 |
1-4 |
p. 339-345 7 p. |
artikel |
7 |
A first principles study of small Cu n clusters based on local-density and generalized-gradient approximations to density functional theory
|
Massobrio, Carlo |
|
1998 |
10 |
1-4 |
p. 463-467 5 p. |
artikel |
8 |
A Monte Carlo simulation of silicon nitride thin film microstructure in ultraviolet localized-chemical vapor deposition
|
Flicstein, J. |
|
1998 |
10 |
1-4 |
p. 116-126 11 p. |
artikel |
9 |
A new model of DLA under high magnetic field
|
Mizuseki, Hiroshi |
|
1998 |
10 |
1-4 |
p. 46-50 5 p. |
artikel |
10 |
An extended BFM model for simulation of copolymers at an interface
|
James, E. |
|
1998 |
10 |
1-4 |
p. 175-179 5 p. |
artikel |
11 |
Angle dependence and defect production in metal-on-metal cluster deposition on surfaces
|
Félix, C. |
|
1998 |
10 |
1-4 |
p. 427-431 5 p. |
artikel |
12 |
AsNCa3 at high pressure
|
Vansant, P.R. |
|
1998 |
10 |
1-4 |
p. 298-301 4 p. |
artikel |
13 |
Atomistic study of dislocation cores in aluminium and copper
|
Aslanides, A. |
|
1998 |
10 |
1-4 |
p. 401-405 5 p. |
artikel |
14 |
Author index to volume 10
|
|
|
1998 |
10 |
1-4 |
p. 475-480 6 p. |
artikel |
15 |
Comparison of two O(N) methods for total-energy semi-empirical tight-binding calculation
|
Chen, J. |
|
1998 |
10 |
1-4 |
p. 392-394 3 p. |
artikel |
16 |
Complex magnetic behavior at the surface of B2 ordered FeCr alloy
|
Amalou, F. |
|
1998 |
10 |
1-4 |
p. 273-277 5 p. |
artikel |
17 |
Computational model of nonequilibrium phase transitions in a Si-Ge system
|
Černý, Robert |
|
1998 |
10 |
1-4 |
p. 468-474 7 p. |
artikel |
18 |
Computational treatment of order-disorder processes by use of the cluster variation method
|
Matic, V.M. |
|
1998 |
10 |
1-4 |
p. 421-426 6 p. |
artikel |
19 |
Computer modeling of grain boundaries in Ni3Al
|
Starostenkov, M.D. |
|
1998 |
10 |
1-4 |
p. 436-439 4 p. |
artikel |
20 |
Computer simulation of martensitic textures
|
Saxena, A. |
|
1998 |
10 |
1-4 |
p. 16-21 6 p. |
artikel |
21 |
Computer simulations of martensitic transformations in NiAl alloys
|
Meyer, R. |
|
1998 |
10 |
1-4 |
p. 10-15 6 p. |
artikel |
22 |
Conceptual and computational advances in multiple-scattering electronic-structure calculations
|
Zeller, Rudolf |
|
1998 |
10 |
1-4 |
p. 373-380 8 p. |
artikel |
23 |
Determination of magnetic moment vectors distributions in FeCo Mn superlattices
|
Cornea, Clara C. |
|
1998 |
10 |
1-4 |
p. 249-254 6 p. |
artikel |
24 |
Editorial Board
|
|
|
1998 |
10 |
1-4 |
p. IFC- 1 p. |
artikel |
25 |
Electronic structure calculations of vacancies and their influence on materials properties
|
Sterne, P.A. |
|
1998 |
10 |
1-4 |
p. 306-313 8 p. |
artikel |
26 |
Electronic structure of stannous oxide
|
Meyer, M. |
|
1998 |
10 |
1-4 |
p. 319-324 6 p. |
artikel |
27 |
Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni3Al
|
Althoff, J.D. |
|
1998 |
10 |
1-4 |
p. 411-415 5 p. |
artikel |
28 |
First principle calculation of oxygen adsorption on a (1 0 0) silicon surface — First stages of the thermal oxidation
|
Estève, A. |
|
1998 |
10 |
1-4 |
p. 94-98 5 p. |
artikel |
29 |
First-principles approach to the calculation of electronic spectra in clusters
|
Reining, Lucia |
|
1998 |
10 |
1-4 |
p. 444-447 4 p. |
artikel |
30 |
First principles investigations of a “quasi-one-dimensional” charge-transfer molecular crystal: TTF-2,5Cl2BQ
|
Katan, C. |
|
1998 |
10 |
1-4 |
p. 325-329 5 p. |
artikel |
31 |
First-principles investigations of the electronic, optical and chemical bonding properties of SnO2
|
Barbarat, Ph. |
|
1998 |
10 |
1-4 |
p. 368-372 5 p. |
artikel |
32 |
First-principles simulations of organic compounds: Solid CO2 under pressure
|
Gygi, François |
|
1998 |
10 |
1-4 |
p. 63-66 4 p. |
artikel |
33 |
Grain effect in electronic properties of silicon epitaxial nanostructures
|
Filonov, A.B. |
|
1998 |
10 |
1-4 |
p. 148-153 6 p. |
artikel |
34 |
Heat and mass transfer during crystal growth
|
Kakimoto, Koichi |
|
1998 |
10 |
1-4 |
p. 127-133 7 p. |
artikel |
35 |
Hydrogen chemisorption on the Si(1 1 1)√3 × √3R30 °-Al, -Ga, -B surfaces: An ab initio HF/DFT molecular orbital modelling using atomic clusters
|
Wang, Sanwu |
|
1998 |
10 |
1-4 |
p. 99-104 6 p. |
artikel |
36 |
Improved angular convergence in noncollinear magnetic orders calculations
|
Stoeffler, Daniel C.A. |
|
1998 |
10 |
1-4 |
p. 217-220 4 p. |
artikel |
37 |
Interaction of Cu(1 1 1) surface states with different extended defects
|
Barral, Andrea |
|
1998 |
10 |
1-4 |
p. 154-158 5 p. |
artikel |
38 |
Investigation of Be diffusion in InGaAs using Kick-out mechanism
|
Marcon, J. |
|
1998 |
10 |
1-4 |
p. 28-32 5 p. |
artikel |
39 |
Large-scale simulations of brittle and ductile failure in fcc crystals
|
Abraham, Farid F. |
|
1998 |
10 |
1-4 |
p. 1-9 9 p. |
artikel |
40 |
LDA and tight-binding: Total energy calculations of polyparaphenylene
|
Miao, M.S. |
|
1998 |
10 |
1-4 |
p. 362-367 6 p. |
artikel |
41 |
LDA modeling of the electronic structure of the halogen-bridged transition-metal chain compounds
|
Alouani, M. |
|
1998 |
10 |
1-4 |
p. 381-387 7 p. |
artikel |
42 |
Local density calculation of structural and electronic properties for Ca10(PO4)6F2
|
Louis-Achille, V. |
|
1998 |
10 |
1-4 |
p. 346-350 5 p. |
artikel |
43 |
Magnetic properties of molecular systems: A nonlocal spin density functional study
|
Touriño, I.Lado |
|
1998 |
10 |
1-4 |
p. 292-297 6 p. |
artikel |
44 |
Magnetic properties simulations of Co Ru interfaces
|
Rahmouni, K. |
|
1998 |
10 |
1-4 |
p. 269-272 4 p. |
artikel |
45 |
Magnetic structure of nonideal Fe Cr interface
|
Yartseva, N.S. |
|
1998 |
10 |
1-4 |
p. 255-259 5 p. |
artikel |
46 |
Magnetism of epitaxial Ru and Rh monolayers on graphite
|
Krüger, P. |
|
1998 |
10 |
1-4 |
p. 265-268 4 p. |
artikel |
47 |
Magnetization processes in submicronic Co dots studied by means of micromagnetic calculations
|
Ferré, R. |
|
1998 |
10 |
1-4 |
p. 205-210 6 p. |
artikel |
48 |
Magnetization reversal in finite and infinite square prisms
|
Ferré, R. |
|
1998 |
10 |
1-4 |
p. 278-282 5 p. |
artikel |
49 |
Mechanisms of formation and topological analysis of porous silicon — computational modeling
|
Aleksandrov, L.N. |
|
1998 |
10 |
1-4 |
p. 406-410 5 p. |
artikel |
50 |
Mesoscopic study of laser absorption by a transparent ceramic
|
Ribeiro, R.Mendes |
|
1998 |
10 |
1-4 |
p. 33-37 5 p. |
artikel |
51 |
Micromagnetic study of ultrathin magnetic films
|
Hu, Xiao |
|
1998 |
10 |
1-4 |
p. 198-204 7 p. |
artikel |
52 |
Modeling of InSb and InAs whiskers growth
|
Bolshakova, I. |
|
1998 |
10 |
1-4 |
p. 38-41 4 p. |
artikel |
53 |
Modelling of boron nitride: Atomic scale simulations on thin film growth
|
Albe, Karsten |
|
1998 |
10 |
1-4 |
p. 111-115 5 p. |
artikel |
54 |
Molecular dynamics description of silver adatom diffusion on Ag(1 0 0) and Ag(1 1 1) surfaces
|
Papanicolaou, N.I. |
|
1998 |
10 |
1-4 |
p. 105-110 6 p. |
artikel |
55 |
Molecular dynamics in semiconductor physics
|
Ihara, Sigeo |
|
1998 |
10 |
1-4 |
p. 80-87 8 p. |
artikel |
56 |
Molecular dynamics simulations of spallation in metals and alloys
|
Morrey, W.C. |
|
1998 |
10 |
1-4 |
p. 432-435 4 p. |
artikel |
57 |
Monte Carlo simulation of pulsed laser ablation into an ambient gas
|
Itina, T.E. |
|
1998 |
10 |
1-4 |
p. 144-147 4 p. |
artikel |
58 |
Monte Carlo simulations of magnetic properties in multilayers
|
Veiller, L. |
|
1998 |
10 |
1-4 |
p. 283-286 4 p. |
artikel |
59 |
Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems
|
Gruner, M.E. |
|
1998 |
10 |
1-4 |
p. 230-234 5 p. |
artikel |
60 |
Non-collinear magnetism and exchange couplings in FeCo Mn superlattices
|
Cornea, Clara C. |
|
1998 |
10 |
1-4 |
p. 245-248 4 p. |
artikel |
61 |
Nonlinear electronic dynamics in free and deposited sodium clusters: Quantal and semi-classical approaches
|
Calvayrac, F. |
|
1998 |
10 |
1-4 |
p. 448-451 4 p. |
artikel |
62 |
Numerical studies of polymer networks and gels
|
Kremer, Kurt |
|
1998 |
10 |
1-4 |
p. 168-174 7 p. |
artikel |
63 |
On the effect of quench rate on the structure of amorphous carbon
|
Rosato, V. |
|
1998 |
10 |
1-4 |
p. 67-74 8 p. |
artikel |
64 |
On the validity of two-current model for systems with strongly spin-dependent disorder
|
Vernes, A. |
|
1998 |
10 |
1-4 |
p. 221-224 4 p. |
artikel |
65 |
Oscillatory behavior of interface exchange coupling caused by finite caps of variable thickness
|
Kudrnovský, J. |
|
1998 |
10 |
1-4 |
p. 188-197 10 p. |
artikel |
66 |
Percolation mechanism for colossal magnetoresistance
|
Bastiaansen, Paul J.M. |
|
1998 |
10 |
1-4 |
p. 225-229 5 p. |
artikel |
67 |
Periodic Anderson model for the description of noncollinear magnetic structure in low-dimensional 3d-systems
|
Uzdin, V.M. |
|
1998 |
10 |
1-4 |
p. 211-216 6 p. |
artikel |
68 |
Possible n-type dopants in diamond and amorphous carbon
|
Pöykkö, S. |
|
1998 |
10 |
1-4 |
p. 351-355 5 p. |
artikel |
69 |
Potential energy of two structures of Σ = 11〈0 1 1〉 tilt grain boundary in silicon and germanium with empirical potentials and tight-binding methods
|
Chen, J. |
|
1998 |
10 |
1-4 |
p. 334-338 5 p. |
artikel |
70 |
Preface
|
Dreyssé, Hugues |
|
1998 |
10 |
1-4 |
p. vii-viii nvt p. |
artikel |
71 |
Preliminary investigations of weak non-adiabatic effects in materials from simulations on model clusters
|
Mathieu, Didier |
|
1998 |
10 |
1-4 |
p. 235-239 5 p. |
artikel |
72 |
Quantum effects on phase transitions in high-pressure ice
|
Benoit, Magali |
|
1998 |
10 |
1-4 |
p. 88-93 6 p. |
artikel |
73 |
Relation between the magnetic moment and the ionicity in NiO
|
Fristot, D. |
|
1998 |
10 |
1-4 |
p. 287-291 5 p. |
artikel |
74 |
Relative stability of an on-top and an inverted Mn monolayer on Ag(1 0 0): Experiment and theory
|
Elmouhssine, O. |
|
1998 |
10 |
1-4 |
p. 260-264 5 p. |
artikel |
75 |
Rotational dynamics in orientationally disordered KClO4
|
Affouard, F. |
|
1998 |
10 |
1-4 |
p. 57-62 6 p. |
artikel |
76 |
Simulation of the deposition and aging of thin island films
|
Bruschi, P. |
|
1998 |
10 |
1-4 |
p. 139-143 5 p. |
artikel |
77 |
Simulations of the elastic response of single-walled carbon nanotubes
|
Cornwell, C.F. |
|
1998 |
10 |
1-4 |
p. 42-45 4 p. |
artikel |
78 |
Spin-flip contribution to the “in-plane” conductivity of magnetic multilayers
|
Abal, Ricardo Gomez |
|
1998 |
10 |
1-4 |
p. 395-400 6 p. |
artikel |
79 |
Structure of point defects in B2 Fe-Al alloys: An atomistic study by semi-empirical simulation
|
Besson, Rémy |
|
1998 |
10 |
1-4 |
p. 416-420 5 p. |
artikel |
80 |
The composition changes induced by surface roughening and mixing during the ion profiling of multilayers
|
Galdikas, A. |
|
1998 |
10 |
1-4 |
p. 134-138 5 p. |
artikel |
81 |
The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
|
Guevara, Javier |
|
1998 |
10 |
1-4 |
p. 440-443 4 p. |
artikel |
82 |
The electronic structure of colossal magnetoresistive manganites
|
de Boer, P.K. |
|
1998 |
10 |
1-4 |
p. 240-244 5 p. |
artikel |
83 |
The growth dynamics of energetic cluster impact films
|
Moseler, Michael |
|
1998 |
10 |
1-4 |
p. 452-456 5 p. |
artikel |
84 |
The microscopic theory of diffusion-controlled defect aggregation
|
Kotomin, E.A. |
|
1998 |
10 |
1-4 |
p. 22-27 6 p. |
artikel |
85 |
Theoretical study of charge-induced defects at metal/polymer interface
|
Ramos, Marta M.D. |
|
1998 |
10 |
1-4 |
p. 184-187 4 p. |
artikel |
86 |
Tight-binding molecular dynamics simulations of the vibration properties of α-titanium
|
Gavartin, Jacob L. |
|
1998 |
10 |
1-4 |
p. 75-79 5 p. |
artikel |
87 |
Total energy calculations of random alloys: Supercell, Connolly-Williams, and CPA methods
|
Abrikosov, I.A. |
|
1998 |
10 |
1-4 |
p. 302-305 4 p. |
artikel |
88 |
Total-energy tight-binding modelisations of silicon
|
Hardouin Duparc, O.B.M. |
|
1998 |
10 |
1-4 |
p. 388-391 4 p. |
artikel |
89 |
Treatment of electrostatic interactions at the Si(1 0 0)-SiO2 interface
|
Prosandeyev, Serguei A. |
|
1998 |
10 |
1-4 |
p. 159-162 4 p. |
artikel |
90 |
Ultra strong polymer fibers: Ab initio calculations on polyethylene
|
Hageman, J.C.L. |
|
1998 |
10 |
1-4 |
p. 180-183 4 p. |
artikel |
91 |
Use of semi-empirical potentials to simulate the Si(1 0 0)-SiO2 interface
|
Capron, N. |
|
1998 |
10 |
1-4 |
p. 163-167 5 p. |
artikel |