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 |