| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of bridging and terminal oxotitanium(IV) oligomeric and polymeric linear titanoxanes
|
Mercuri, F.
|
|
2002
|
108 |
1 |
p. 46-52
|
artikel
|
| 2 |
An atom-in-molecules and electron-localization-function study of the interaction between O2 and VxOy+/VxOy (x = 1, 2, y = 1–5) clusters
|
Calatayud, M.
|
|
2002
|
108 |
1 |
p. 12-20
|
artikel
|
| 3 |
A singularity excluded approximate expansion scheme in relativistic density functional theory
|
Wang, Fan
|
|
2002
|
108 |
1 |
p. 53-60
|
artikel
|
| 4 |
Contracted Gaussian-type basis functions revisited. IV. Atoms Rb to Xe
|
Koga, Toshikatsu
|
|
2002
|
108 |
1 |
p. 41-45
|
artikel
|
| 5 |
Recent applications of density functional theory calculations to biomolecules
|
Ban, Fuqiang
|
|
2002
|
108 |
1 |
p. 1-11
|
artikel
|
| 6 |
Solvent effects on the electronic absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach
|
Rocha, W. R.
|
|
2002
|
108 |
1 |
p. 31-37
|
artikel
|
| 7 |
Test of variational transition state theory with multidimensional tunneling contributions against experimental kinetic isotope effects for the CHnD4−n + OH→P (n=0, 4) reactions
|
Masgrau, Laura
|
|
2002
|
108 |
1 |
p. 38-40
|
artikel
|
| 8 |
The electron affinities of transition metal atoms at the CCSD(T) and density functional levels of theory
|
Bauschlicher Jr, Charles W.
|
|
2002
|
108 |
1 |
p. 27-30
|
artikel
|
| 9 |
Use of addition theorems in evaluation of multicenter nuclear-attraction and electron-repulsion integrals with integer and noninteger n Slater-type orbitals
|
Guseinov, I. I.
|
|
2002
|
108 |
1 |
p. 21-26
|
artikel
|
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