| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio analysis of the Cope rearrangement of germacrane sesquiterpenoids
|
Setzer, William N.
|
|
2008
|
14 |
5 |
p. 335-342
|
artikel
|
| 2 |
Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling
|
Nemukhin, Alexander V.
|
|
2008
|
14 |
5 |
p. 409-416
|
artikel
|
| 3 |
DFT-based molecular modeling and vibrational study of the La(III) complex of 3,3′-(benzylidene)bis(4-hydroxycoumarin)
|
Mihaylov, Tzvetan
|
|
2008
|
14 |
5 |
p. 353-366
|
artikel
|
| 4 |
Effect of microsolvation on zwitterionic glycine: an ab initio and density functional theory study
|
Sahu, Prabhat K.
|
|
2008
|
14 |
5 |
p. 385-392
|
artikel
|
| 5 |
Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles
|
Knippenberg, M. Todd
|
|
2008
|
14 |
5 |
p. 343-351
|
artikel
|
| 6 |
Molecular modeling and dynamics studies of cytidylate kinase from Mycobacterium tuberculosis H37Rv
|
Caceres, Rafael Andrade
|
|
2008
|
14 |
5 |
p. 427-434
|
artikel
|
| 7 |
Molecular modeling studies of poly lactic acid initiation mechanisms
|
Khanna, Ashok
|
|
2008
|
14 |
5 |
p. 367-374
|
artikel
|
| 8 |
SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces
|
Cai, Wensheng
|
|
2008
|
14 |
5 |
p. 393-401
|
artikel
|
| 9 |
The decomposition of α-aminophosphine oxides to phosphonic acid derivatives (PIII)
|
Doskocz, Marek
|
|
2008
|
14 |
5 |
p. 435-440
|
artikel
|
| 10 |
The mechanism and kinetics of decomposition of 5-aminotetrazole
|
Zhang, Jian-Guo
|
|
2008
|
14 |
5 |
p. 403-408
|
artikel
|
| 11 |
Theoretical study of the novel sandwich compound [Au3Cl3Tr2]2+
|
Muñiz, Jesús
|
|
2008
|
14 |
5 |
p. 417-425
|
artikel
|
| 12 |
Vibrational spectral assignments of paraldehyde by ab initio and density functional methods
|
Gunasekaran, Sethu
|
|
2008
|
14 |
5 |
p. 375-383
|
artikel
|
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