| 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
|
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