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                             54 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab-initio investigation of electronic and magnetic properties of Heusler alloys Kulkova, S.E.
 2006
 36 1-2 p. 249-252
4 p.
 artikel
2 Ab initio simulation of diamond epitaxial growth on copper Zavodinsky, V.G.
 2006
 36 1-2 p. 139-142
4 p.
 artikel
3 Ab initio study of dititanium endofullerenes: D 5d- and D 5h-Ti2@C80 Enyashin, A.N.
 2006
 36 1-2 p. 26-29
4 p.
 artikel
4 Account of three-body interactions in the lattice dynamics method Krupskii, Dmitrii S.
 2006
 36 1-2 p. 225-228
4 p.
 artikel
5 A first principles study of the elastic properties in perovskite-type RRh3B and RRh3C with R=Sc, Y and La Sahara, R.
 2006
 36 1-2 p. 12-16
5 p.
 artikel
6 Alchemy at the nanoscale: Magic heteroatom clusters and assemblies Kumar, Vijay
 2006
 36 1-2 p. 1-11
11 p.
 artikel
7 ASFMS: A program package for ab initio calculation of absorption spectra by full multiple scattering Ruzankin, S.Ph.
 2006
 36 1-2 p. 184-188
5 p.
 artikel
8 Atomistic simulation of the influence of pressure on dislocation nucleation in bcc Mo Xu, D.S.
 2006
 36 1-2 p. 60-64
5 p.
 artikel
9 Atomistic simulations of surface diffusion and segregation in ceramics Lavrentiev, M.Yu.
 2006
 36 1-2 p. 54-59
6 p.
 artikel
10 Beyond the point defect limit: Simulation methods for solid solutions and highly disordered systems Allan, N.L.
 2006
 36 1-2 p. 42-48
7 p.
 artikel
11 Comparison of simulations of liquid metals by classical and ab initio molecular dynamics Mitrokhin, Yu.
 2006
 36 1-2 p. 189-193
5 p.
 artikel
12 Condensed excited states in beryllium Popov, A.V.
 2006
 36 1-2 p. 217-220
4 p.
 artikel
13 Conference photo 2006
 36 1-2 p. xv-
1 p.
 artikel
14 Cs doping effects on electronic structure of thin nanotubes Khazaei, Mohammad
 2006
 36 1-2 p. 152-158
7 p.
 artikel
15 Dilute magnetic III–V semiconductor spintronics materials: A first-principles approach Das, G.P.
 2006
 36 1-2 p. 84-90
7 p.
 artikel
16 Dynamic formation process of Bi line structure on Si(100) surface Wang, Jian-Tao
 2006
 36 1-2 p. 135-138
4 p.
 artikel
17 Dynamics and equation of state of hydrogen clathrate hydrate as a function of cage occupation Inerbaev, Talgat M.
 2006
 36 1-2 p. 229-233
5 p.
 artikel
18 Electronic properties of superconducting ternary alloys (Ca,Sr,Ba)(Ga1−x Si x )2 with AlB2-like structure Shein, I.R.
 2006
 36 1-2 p. 203-206
4 p.
 artikel
19 Electronic structure of half-metallic magnets Nanda, B.R.K.
 2006
 36 1-2 p. 96-101
6 p.
 artikel
20 Exchange parameters in Fe-based molecular magnets Postnikov, A.V.
 2006
 36 1-2 p. 91-95
5 p.
 artikel
21 First-principles calculations of half-metallic zinc-blende type superlattices Geshi, M.
 2006
 36 1-2 p. 143-146
4 p.
 artikel
22 First-principles calculations of optical absorption spectra of atoms in the vacuum and crystals Ohno, Kaoru
 2006
 36 1-2 p. 125-129
5 p.
 artikel
23 First principles studies of magnesium oxide clusters by parallelized Tohoku University Mixed-Basis program TOMBO Jain, Amit
 2006
 36 1-2 p. 171-175
5 p.
 artikel
24 Foreword Kuznetsov, F.A.
 2006
 36 1-2 p. xiii-xiv
nvt p.
 artikel
25 IFC 2006
 36 1-2 p. CO2-
1 p.
 artikel
26 Influence of Schwoebel barrier and diffusion anisotropy on step density oscillation amplitude during epitaxial growth Neizvestny, I.G.
 2006
 36 1-2 p. 180-183
4 p.
 artikel
27 InGaAs/GaAs nanotubes simulation: Comparison between continual and molecular dynamics approaches Bolesta, A.V.
 2006
 36 1-2 p. 147-151
5 p.
 artikel
28 Ion exchanger as canonical assembly: Calculation of the phase composition in multicomponent systems Al’tshuler, O.H.
 2006
 36 1-2 p. 207-211
5 p.
 artikel
29 Modelling of the structure and vibrational properties of LDA, HDA, and VHDA amorphous ices Subbotin, O.S.
 2006
 36 1-2 p. 253-257
5 p.
 artikel
30 Molecular dynamics of single wall carbon nanotube growth on nickel surface Esfarjani, Keivan
 2006
 36 1-2 p. 117-120
4 p.
 artikel
31 Molecular dynamics simulation of fluorite- and tysonite-type solid electrolytes Gotlib, I.Yu.
 2006
 36 1-2 p. 73-78
6 p.
 artikel
32 Molecular dynamics simulations of solid–liquid phase transition in small water aggregates Egorov, Andrei V.
 2006
 36 1-2 p. 166-170
5 p.
 artikel
33 Molecular-dynamic study of detonation in a diatomic molecular crystal Utkin, A.V.
 2006
 36 1-2 p. 234-237
4 p.
 artikel
34 Multi-scale modelling of materials for fusion power plants Nguyen-Manh, D.
 2006
 36 1-2 p. 112-116
5 p.
 artikel
35 Nuclear analysis of the copper alloys for fusion technologies by Monte Carlo method Farkas, G.
 2006
 36 1-2 p. 121-124
4 p.
 artikel
36 Preface Kumar, Vijay
 2006
 36 1-2 p. xi-xii
nvt p.
 artikel
37 Quantum-mechanics simulation of carbon nanoclusters and their activities in reactions with molecular oxygen Zavodinsky, V.G.
 2006
 36 1-2 p. 159-165
7 p.
 artikel
38 Rational design of high-efficiency thermoelectric materials with low band gap conductive polymers Gao, Xing
 2006
 36 1-2 p. 49-53
5 p.
 artikel
39 Realization of molecular interconnection for molecular electronics: Theoretical aspects Belosludov, R.V.
 2006
 36 1-2 p. 130-134
5 p.
 artikel
40 Relative stability and electronic properties of group IV phosphides and nitrides Feng, Y.P.
 2006
 36 1-2 p. 65-72
8 p.
 artikel
41 Ring structures of small ZnO clusters Jain, Amit
 2006
 36 1-2 p. 258-262
5 p.
 artikel
42 Simulation of Cs adsorption on clean and Sb-covered GaAs surfaces Kulkova, S.E.
 2006
 36 1-2 p. 199-202
4 p.
 artikel
43 Simulation of surface relief effect on ALD process Neizvestny, I.G.
 2006
 36 1-2 p. 36-41
6 p.
 artikel
44 Structural properties and lattice dynamics of RbMnCl3 crystal Vtyurin, A.N.
 2006
 36 1-2 p. 79-83
5 p.
 artikel
45 Symmetry analysis of calculated vibrational spectra of Rb2KScF6 crystal Krylov, A.S.
 2006
 36 1-2 p. 221-224
4 p.
 artikel
46 The electronic structure of grain boundaries in metals and alloys Eremeev, S.V.
 2006
 36 1-2 p. 244-248
5 p.
 artikel
47 The influence of a nanocrystal size on the results of molecular-dynamics modeling Golovnev, I.F.
 2006
 36 1-2 p. 176-179
4 p.
 artikel
48 Theoretical proposal of planar silicon oligomer and silicon benzene Takahashi, Masae
 2006
 36 1-2 p. 30-35
6 p.
 artikel
49 Theoretical study of polarons and self-trapped excited states in one-dimensional C60 crystal Belosludov, V.R.
 2006
 36 1-2 p. 17-25
9 p.
 artikel
50 Theoretical study of the surface electronic structure and hydrogen adsorption properties in advanced hydrogen storage materials Kulkova, S.E.
 2006
 36 1-2 p. 102-105
4 p.
 artikel
51 The probability of pairwise defects creation in 3C–SiC as calculated by Xα-DV method Yuryeva, Elmira I.
 2006
 36 1-2 p. 194-198
5 p.
 artikel
52 Thermodynamics and vibrational spectrums for molecular crystals of β-diketonate of metals: Modeling in frameworks of the lattice dynamics method Naumov, V.N.
 2006
 36 1-2 p. 238-243
6 p.
 artikel
53 Time saving techniques for electronic structure calculations of infinite and semi-infinite crystals, interfaces, and slabs of arbitrary thickness Tapilin, V.M.
 2006
 36 1-2 p. 106-111
6 p.
 artikel
54 Vibrational spectra of KPb2Cl5 and KPb2Br5 crystals Vtyurin, A.N.
 2006
 36 1-2 p. 212-216
5 p.
 artikel
                             54 gevonden resultaten
 
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