| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio solid-state heats of formation of molecular salts from ion packing and crystal modelling: application to ammonium crystals
|
Beaucamp, Sylvain
|
|
2004
|
102 |
3 |
p. 253-258
|
artikel
|
| 2 |
Challenges for the application of quantum chemical calculations to problems in catalysis
|
Bell, Alexis T.
|
|
2004
|
102 |
3 |
p. 319-329
|
artikel
|
| 3 |
Kinetic models for catalytic reactions from first principles: benzene hydrogenation
|
Saeys, Mark
|
|
2004
|
102 |
3 |
p. 267-272
|
artikel
|
| 4 |
Lateral interactions between oxygen atoms adsorbed on platinum (111) by first principles
|
Tang, Hairong
|
|
2004
|
102 |
3 |
p. 273-279
|
artikel
|
| 5 |
Limiting activity coefficients of aqueous flavour systems at 298 K by the group contribution solvation (GCS) model
|
Nanu, Diana E.
|
|
2004
|
102 |
3 |
p. 235-241
|
artikel
|
| 6 |
Methanol coupling in the zeolite chabazite studied via Car-Parrinello molecular dynamics
|
Lo, Cynthia
|
|
2004
|
102 |
3 |
p. 281-288
|
artikel
|
| 7 |
Molecular simulation of binary vapour-liquid equilibria with components differing largely in volatility
|
Van, A.
|
|
2004
|
102 |
3 |
p. 301-317
|
artikel
|
| 8 |
New approach to molecular dynamics for a non-pairwise Hamiltonian
|
Saksena, Radhika S.
|
|
2004
|
102 |
3 |
p. 259-266
|
artikel
|
| 9 |
Simulated water adsorption isotherms in carbon nanopores
|
Striolo, Alberto
|
|
2004
|
102 |
3 |
p. 243-251
|
artikel
|
| 10 |
Sketching a path through the hydrocarbon oxidation maze
|
Rappe, A. K.
|
|
2004
|
102 |
3 |
p. 289-299
|
artikel
|
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