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                             33 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A first-principles thermodynamic approach to ordering in binary alloys Mookerjee, Abhijit

26 1 p. 79-89
artikel
2 Application of genetic algorithms to hydrogenated silicon clusters Chakraborti, N.

26 1 p. 127-130
artikel
3 A study of phase separation in ternary alloys Bhattacharyya, Saswata

26 1 p. 193-197
artikel
4 Density functional theory and multiscale materials modeling Ghosh, Swapan K.

26 1 p. 3-12
artikel
5 Double stripe reconstruction of the Pt(111) surface Pushpa, Raghani

26 1 p. 91-96
artikel
6 Effect of alloying on the electronic structure and magnetic properties of Fe, Co and Ni with Au and Ag Bhattacharjee, Ashish

26 1 p. 199-205
artikel
7 Effect of Co on the magnetism and phase stability of lithiated manganese oxides Prasad, R.

26 1 p. 147-150
artikel
8 Electronic properties of magnetically doped nanotubes Esfarjani, Keivan

26 1 p. 105-107
artikel
9 Electronic structure and optical properties of thorium monopnictides Kumar, S.

26 1 p. 165-168
artikel
10 Electronic structure and superconductivity of MgB2 Gaitonde, D. M.

26 1 p. 137-141
artikel
11 Environmentally dependent bond-order potentials: New developments and applications Nguyen-Manh, D.

26 1 p. 43-51
artikel
12 Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu Narasimhan, Shobhana

26 1 p. 75-78
artikel
13 Ground state structures and properties of Si3Hn (n = 1–6) clusters Balamurugan, D.

26 1 p. 123-125
artikel
14 Ground state structures and properties of small hydrogenated silicon clusters Prasad, R.

26 1 p. 117-121
artikel
15 Linear and nonlinear optical properties of borate crystals as calculated from the first principles Wang, Ding-Sheng

26 1 p. 159-163
artikel
16 Many electron effects in semiconductor quantum dots Pandey, R. K.

26 1 p. 63-67
artikel
17 Multi-scale modeling strategies in materials science—The quasicontinuum method Shenoy, Vijay B.

26 1 p. 53-62
artikel
18 Novel caged clusters of silicon: Fullerenes, Frank-Kasper polyhedron and cubic Kumar, Vijay

26 1 p. 109-114
artikel
19 Obtaining Kohn-Sham potential without taking the functional derivative Harbola, Manoj K.

26 1 p. 69-74
artikel
20 On the electronic structure and equation of state in high pressure studies of solids Godwal, B. K.

26 1 p. 175-181
artikel
21 On the stability of rhenium up to 1 TPa pressure against transition to thebcc structure Verma, A. K.

26 1 p. 183-187
artikel
22 Oscillatory interlayer magnetic coupling and induced magnetism in Fe/Nb multilayers Shukla, Nitya Nath

26 1 p. 143-146
artikel
23 Projector augmented wave method:ab initio molecular dynamics with full wave functions Blöchl, Peter E.

26 1 p. 33-41
artikel
24 Realization of prediction of materials properties byab initio computer simulation Kawazoe, Yoshiyuki

26 1 p. 13-17
artikel
25 Simple explanation for the reentrant magnetic phase transition in Pr0.5Sr0.41Ca0.09MnO3 perovskite Cong, B. T.

26 1 p. 151-154
artikel
26 Site preference of Zr in Ti3Al and phase stability of Ti2ZrAl Ravi, C.

26 1 p. 97-103
artikel
27 Spinodal decomposition in fine grained materials Ramanarayan, H.

26 1 p. 189-192
artikel
28 Structures of Mn clusters Briere, Tina M.

26 1 p. 115-116
artikel
29 Theoretical study of superconductivity in MgB2 and its alloys Singh, P. P.

26 1 p. 131-135
artikel
30 Third-generation muffin—tin orbitals Andersen, O. K.

26 1 p. 19-26
artikel
31 Tight-binding model for carbon from the third-generation LMTO method: A study of transferability Nguyen-Manh, D.

26 1 p. 27-32
artikel
32 Total energy calculation of perovskite, BaTiO3, by self-consistent tight binding method Cong, B. T.

26 1 p. 155-158
artikel
33 Variations in first principles calculated defect energies in GaAs and their effect on practical predictions Deepak,

26 1 p. 169-173
artikel
                             33 gevonden resultaten
 
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