| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the O2 binding in dicopper complexes
|
Rode, Michal F.
|
|
2005
|
114 |
4-5 |
p. 309-317
|
artikel
|
| 2 |
A new proposal for the reason of magic numbers in alkali cation microhydration clusters
|
Schulz, Franziska
|
|
2005
|
114 |
4-5 |
p. 357-379
|
artikel
|
| 3 |
A short-range correlation energy density functional with multi-determinantal reference
|
Toulouse, J.
|
|
2005
|
114 |
4-5 |
p. 305-308
|
artikel
|
| 4 |
Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atoms
|
Koch, Volker
|
|
2005
|
114 |
4-5 |
p. 380-386
|
artikel
|
| 5 |
Hermann Stoll
|
Dolg, Michael
|
|
2005
|
114 |
4-5 |
p. 253-254
|
artikel
|
| 6 |
Implicit infinite lattice summations for real space ab initio correlation methods
|
Albrecht, M.
|
|
2005
|
114 |
4-5 |
p. 265-275
|
artikel
|
| 7 |
Improved relativistic energy-consistent pseudopotentials for 3d-transition metals
|
Dolg, Michael
|
|
2005
|
114 |
4-5 |
p. 297-304
|
artikel
|
| 8 |
Method of increments for excitations in correlated electron systems
|
Fulde, Peter
|
|
2005
|
114 |
4-5 |
p. 255-258
|
artikel
|
| 9 |
Multi-level vibrational SCF calculations and FTIR measurements on furazan
|
Pflüger, Klaus
|
|
2005
|
114 |
4-5 |
p. 327-332
|
artikel
|
| 10 |
Nonorthogonal ultralocalized functions and fitted Wannier functions for local electron correlation methods for solids
|
Usvyat, Denis
|
|
2005
|
114 |
4-5 |
p. 276-282
|
artikel
|
| 11 |
On the application of the incremental scheme to ionic solids: test of different embeddings
|
Voloshina, Elena
|
|
2005
|
114 |
4-5 |
p. 259-264
|
artikel
|
| 12 |
On the equilibrium structures and the IR active bending vibrations of linear C13 and C15: results of large-scale coupled cluster calculations
|
Botschwina, Peter
|
|
2005
|
114 |
4-5 |
p. 350-356
|
artikel
|
| 13 |
Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
|
Peterson, Kirk A
|
|
2005
|
114 |
4-5 |
p. 283-296
|
artikel
|
| 14 |
Theoretical study of the C3S molecule
|
Zaidi, A.
|
|
2005
|
114 |
4-5 |
p. 341-349
|
artikel
|
| 15 |
Understanding solvent effects on hyperfine coupling constants of cyclohexadienyl radicals
|
Straka, Michal
|
|
2005
|
114 |
4-5 |
p. 318-326
|
artikel
|
| 16 |
Vibrational spectrum of BiH3: Six-dimensional variational calculations on high-level ab initio potential energy surfaces
|
Yurchenko, Sergei N.
|
|
2005
|
114 |
4-5 |
p. 333-340
|
artikel
|
Tijdschrift beschrijving