| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the singlet-triplet splitting in reduced polyoxometalates
|
Graaf, Coen de
|
|
2009
|
123 |
1-2 |
p. 3-10
|
artikel
|
| 2 |
A Bohmian total potential view to quantum effects. II: decay of temporarily trapped states
|
González, María F.
|
|
2009
|
123 |
1-2 |
p. 51-58
|
artikel
|
| 3 |
Analysis of the basis set and correlation effects on the computation of molecular polarizabilities using molecular polarization maps
|
Roset, Lurdes
|
|
2009
|
123 |
1-2 |
p. 113-118
|
artikel
|
| 4 |
Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base
|
Keal, Thomas W.
|
|
2009
|
123 |
1-2 |
p. 145-156
|
artikel
|
| 5 |
Density functional methods in the study of oxygen transfer reactions
|
Acosta-Silva, Carles
|
|
2009
|
123 |
1-2 |
p. 59-66
|
artikel
|
| 6 |
Excess charge delocalization in organic and biological molecules: some theoretical notions
|
Blancafort, Lluís
|
|
2009
|
123 |
1-2 |
p. 29-40
|
artikel
|
| 7 |
Formation pathways of CH3SOH from CH3S(OH)CH3 in the presence of O2: a theoretical study
|
Ramírez-Anguita, Juan M.
|
|
2009
|
123 |
1-2 |
p. 93-103
|
artikel
|
| 8 |
Influence of π-stacking on the N7 and O6 proton affinity of guanine
|
Noguera, M.
|
|
2009
|
123 |
1-2 |
p. 105-111
|
artikel
|
| 9 |
Influence of the exchange–correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles
|
Roldán, Alberto
|
|
2009
|
123 |
1-2 |
p. 119-126
|
artikel
|
| 10 |
Ion binding to polyelectrolytes: Monte Carlo simulations versus classical mean field theories
|
Madurga, Sergio
|
|
2009
|
123 |
1-2 |
p. 127-135
|
artikel
|
| 11 |
Long, multicenter bonding in π-[terthiophene]22+ dimers
|
Yoldi, Iñigo Garcia
|
|
2009
|
123 |
1-2 |
p. 137-143
|
artikel
|
| 12 |
Oxidation states, atomic charges and orbital populations in transition metal complexes
|
Aullón, Gabriel
|
|
2009
|
123 |
1-2 |
p. 67-73
|
artikel
|
| 13 |
Solvation enthalpies of neutral solutes in water and octanol
|
Bidon-Chanal, Axel
|
|
2009
|
123 |
1-2 |
p. 11-20
|
artikel
|
| 14 |
Static and dynamic properties of anionic intermolecular aggregates: the I−–benzene–Arn case
|
Albertí, M.
|
|
2009
|
123 |
1-2 |
p. 21-27
|
artikel
|
| 15 |
The role of amide ligands in the stabilization of Pd(II) tricoordinated complexes: is the Pd–NR2 bond order single or higher?
|
Moncho, Salvador
|
|
2009
|
123 |
1-2 |
p. 75-84
|
artikel
|
| 16 |
The 65th birthday of Professor Santiago Olivella Nello
|
Anglada, Josep M.
|
|
2009
|
123 |
1-2 |
p. 1-2
|
artikel
|
| 17 |
The vibrational auto-adjusting perturbation theory
|
Matito, Eduard
|
|
2009
|
123 |
1-2 |
p. 41-49
|
artikel
|
| 18 |
Uniform linear chains of group 11 atoms: do they have a bias towards a Peierls distortion?
|
Alemany, Pere
|
|
2009
|
123 |
1-2 |
p. 85-92
|
artikel
|
Tijdschrift beschrijving