| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Björn’s top ten
|
Lindh, Roland
|
|
2003
|
110 |
3 |
p. 115-117
|
artikel
|
| 2 |
Bond length alternation in ground and HOMO→LUMO excited states in polyenes. Dynamic Stokes shift?
|
Blomgren, Fredrik
|
|
2003
|
110 |
3 |
p. 165-169
|
artikel
|
| 3 |
Calculation of accurate binding energies for the transition-metal carbonyls Ni(CO)4, Fe(CO)5 and Cr(CO)6
|
Persson, B. Joakim
|
|
2003
|
110 |
3 |
p. 211-217
|
artikel
|
| 4 |
Cesium and barium as honorary d elements: CsN7Ba as an example
|
Gagliardi, Laura
|
|
2003
|
110 |
3 |
p. 205-210
|
artikel
|
| 5 |
Electric properties of hydrogen iodide: Reexamination of correlation and relativistic effects
|
Iliaš, Miroslav
|
|
2003
|
110 |
3 |
p. 176-184
|
artikel
|
| 6 |
Maximum radius of convergence perturbation theory: test calculations on Be, Ne, H2 and HF
|
Yokoyama, Kotaro
|
|
2003
|
110 |
3 |
p. 185-189
|
artikel
|
| 7 |
Modeling water exchange on monomeric and dimeric Mn centers
|
Lundberg, Marcus
|
|
2003
|
110 |
3 |
p. 130-143
|
artikel
|
| 8 |
Nonlinear electric response of polyampholytes
|
Khan, Malek O.
|
|
2003
|
110 |
3 |
p. 126-129
|
artikel
|
| 9 |
On the influence of the basis set superposition error on calculated vibrational frequencies
|
Hermida-Ramón, Jose Manuel
|
|
2003
|
110 |
3 |
p. 190-195
|
artikel
|
| 10 |
Perturbation energy expansions based on two-component relativistic Hamiltonians
|
Sundholm, Dage
|
|
2003
|
110 |
3 |
p. 144-152
|
artikel
|
| 11 |
Semidirect parallel self-consistent field: the load balancing problem in the input/output intensive self-consistent field iterations
|
Lindh, Roland
|
|
2003
|
110 |
3 |
p. 156-164
|
artikel
|
| 12 |
The electronic spectrum of VCr
|
Andersson, K.
|
|
2003
|
110 |
3 |
p. 218-223
|
artikel
|
| 13 |
The ground state of TiC revisited
|
Bauschlicher Jr., Charles W.
|
|
2003
|
110 |
3 |
p. 153-155
|
artikel
|
| 14 |
The migratory insertion of carbon monoxide and methyl isocyanide into zirconium–carbon and titanium–carbon bonds anchored to a calix[4]arene moiety: a dynamical density functional study
|
De Angelis, Filippo
|
|
2003
|
110 |
3 |
p. 196-204
|
artikel
|
| 15 |
Theoretical characterization of the absorption spectra of phenanthrene and its radical cation
|
González-Luque, R.
|
|
2003
|
110 |
3 |
p. 224-232
|
artikel
|
| 16 |
The performance of density functional theory for LnF (Ln=Nd, Eu, Gd, Yb) and YbH
|
Heiberg, Hanne
|
|
2003
|
110 |
3 |
p. 118-125
|
artikel
|
| 17 |
Vibrational linestrengths for the ground and first excited electronic states of HeH2+
|
Šindelka, M.
|
|
2003
|
110 |
3 |
p. 170-175
|
artikel
|
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