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                             37 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio molecular orbital characterization of sources for photo-assisted radical beam epitaxy of group-III nitrides Hayashi, Keiji
 2003
 27 1-2 p. 50-57
8 p.
 artikel
2 Ab initio tight-binding study of exciton optical and electro-optic properties of conjugated polymers Pedersen, Thomas G.
 2003
 27 1-2 p. 123-127
5 p.
 artikel
3 A modified empirical potential for energetic calculations of planar defects in GaN Kioseoglou, J.
 2003
 27 1-2 p. 43-49
7 p.
 artikel
4 A quantum chemical mechanism for the water-initiated decomposition of silica Del Bene, Janet E.
 2003
 27 1-2 p. 102-108
7 p.
 artikel
5 Are DFT level calculations the answer to real-world molecular systems? Meier, Robert J.
 2003
 27 1-2 p. 219-223
5 p.
 artikel
6 Atomic layer deposition of hafnium and zirconium silicate thin films Vainonen-Ahlgren, E.
 2003
 27 1-2 p. 65-69
5 p.
 artikel
7 Atomic scale computer aided design for novel semiconductor devices La Magna, A.
 2003
 27 1-2 p. 10-15
6 p.
 artikel
8 Atomic scale simulation of structural relaxation processes in tetrahedral amorphous carbon Belov, A.Yu.
 2003
 27 1-2 p. 30-35
6 p.
 artikel
9 Atomistic study of ion-beam deposition conditions for hard amorphous carbon Belov, A.Yu.
 2003
 27 1-2 p. 16-22
7 p.
 artikel
10 Author index 2003
 27 1-2 p. 231-233
3 p.
 artikel
11 Band structure engineering of a molecular wire system composed of dimercaptoacetoamidobenzene, its derivatives, and gold clusters Nolan, M.
 2003
 27 1-2 p. 166-174
9 p.
 artikel
12 Catalytic conversion of hydrocarbons over zeolites from first principles Benco, L.
 2003
 27 1-2 p. 87-95
9 p.
 artikel
13 Cell dynamics based on the metric tensor as extended variable for isothermal–isobaric molecular dynamics simulations Hernández, E.
 2003
 27 1-2 p. 212-218
7 p.
 artikel
14 Change mobility in conjugated polymer molecules Almeida, A.M.
 2003
 27 1-2 p. 128-132
5 p.
 artikel
15 Characterizing cavity-like spaces in active-site models of zeolites Torrens, F.
 2003
 27 1-2 p. 96-101
6 p.
 artikel
16 Computer simulation of sputtering and oxygen desorption processes at grazing ion bombardment of Ag(110) surface Dzhurakhalov, A.A.
 2003
 27 1-2 p. 117-122
6 p.
 artikel
17 DFT investigation of HfCl4 decomposition on hydroxylated SiO2: first stage of HfO2 atomic layer deposition Estève, A.
 2003
 27 1-2 p. 75-80
6 p.
 artikel
18 Electronic properties of Mn compounds under strain Debernardi, A.
 2003
 27 1-2 p. 175-180
6 p.
 artikel
19 E-MRS 2002 Spring Meeting Symposium A: Atomic Scale Materials Design Djfari-Rouhani, Mehdi
 2003
 27 1-2 p. xi-xii
nvt p.
 artikel
20 Finite-size scaling study of the ballistic deposition model in (1+1)-dimensions Miranda, R.
 2003
 27 1-2 p. 224-229
6 p.
 artikel
21 First principles characterization of direct transitions for high efficiency new photovoltaic materials Tablero, C.
 2003
 27 1-2 p. 58-64
7 p.
 artikel
22 First principles studies of neutral vacancies diffusion in SiC Rurali, R.
 2003
 27 1-2 p. 36-42
7 p.
 artikel
23 Formation of oligomer species in the course of the TiCl4 ammonolysis and their role in Ti(IV)–Ti(III) reduction processes: A theoretical study Timoshkin, A.Y.
 2003
 27 1-2 p. 109-116
8 p.
 artikel
24 Heteroepitaxial growth of high-k gate oxides on silicon: insights from first-principles calculations on Zr on Si(001) Först, Clemens J
 2003
 27 1-2 p. 70-74
5 p.
 artikel
25 Long-time scale molecular dynamics study of Co diffusion on the Au(111) surface Bulou, H.
 2003
 27 1-2 p. 181-185
5 p.
 artikel
26 Magnetism of monoatomic wires on vicinal surfaces Spišák, D
 2003
 27 1-2 p. 138-150
13 p.
 artikel
27 Monte Carlo modeling of amorphization resulting from ion implantation in Si Pelaz, Lourdes
 2003
 27 1-2 p. 1-5
5 p.
 artikel
28 Non-empirical study of the sliding process in the Σ 3(111) grain boundary in tungsten Dorfman, Simon
 2003
 27 1-2 p. 199-203
5 p.
 artikel
29 Ordering kinetics in Ni3Al by molecular dynamics Oramus, P.
 2003
 27 1-2 p. 186-190
5 p.
 artikel
30 Second-moment interatomic potential for Al, Ni and Ni–Al alloys, and molecular dynamics application Papanicolaou, N.I
 2003
 27 1-2 p. 191-198
8 p.
 artikel
31 Semi-empirical calculations of the electronic and atomic structure of polarons and excitons in ABO3 perovskite crystals Eglitis, R.I.
 2003
 27 1-2 p. 81-86
6 p.
 artikel
32 Structure and reactivity of aluminium amidinates in olefin polymerisation Meier, Robert J.
 2003
 27 1-2 p. 133-137
5 p.
 artikel
33 Substitutional n-type doping of diamond Larsson, K.
 2003
 27 1-2 p. 23-29
7 p.
 artikel
34 Theoretical study of the alkyl derivative C37H50N4O4 molecule for use as a stable molecular rectifier: geometric and electronic structures Mizuseki, Hiroshi
 2003
 27 1-2 p. 161-165
5 p.
 artikel
35 Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds Stokbro, K.
 2003
 27 1-2 p. 151-160
10 p.
 artikel
36 The role of the bond defect on silicon amorphization: a molecular dynamics study Marqués, Luis A.
 2003
 27 1-2 p. 6-9
4 p.
 artikel
37 The transfer Hamiltonian: a tool for large scale simulations with quantum mechanical forces Taylor, Carlos E.
 2003
 27 1-2 p. 204-211
8 p.
 artikel
                             37 gevonden resultaten
 
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