| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of the gas-phase elimination reactions of 4-arylideneimino-1,2,4-triazol-3(2H )-ones and their 3(2H )-thione analogues
|
León, Luis A.
|
|
2003
|
110 |
6 |
p. 387-394
|
artikel
|
| 2 |
Caffeine interactions with nucleic acids. Molecular mechanics calculations of model systems for explanation of mechanisms of biological actions
|
Poltev, V. I.
|
|
2003
|
110 |
6 |
p. 466-472
|
artikel
|
| 3 |
Exact and approximate forms of the kinetic energy functional Ts[ρ] for molecules obtained via local-scaling transformations
|
Ludeña, Eduardo V.
|
|
2003
|
110 |
6 |
p. 395-402
|
artikel
|
| 4 |
Immiscible fluid flow through nanotubes
|
Leo, J. Marañón Di
|
|
2003
|
110 |
6 |
p. 410-413
|
artikel
|
| 5 |
Monte Carlo study of three-dimensional organization of water molecules around DNA fragments
|
González, E.
|
|
2003
|
110 |
6 |
p. 460-465
|
artikel
|
| 6 |
New isospectral generalized potentials
|
Morales, J.
|
|
2003
|
110 |
6 |
p. 403-409
|
artikel
|
| 7 |
New structural parameters of fullerenes for principal component analysis
|
Torrens, F.
|
|
2003
|
110 |
6 |
p. 371-376
|
artikel
|
| 8 |
Rationalization of the optical rotatory power of chiral molecules into atomic terms: a study of N2H4
|
Béccar Varela, M. P.
|
|
2003
|
110 |
6 |
p. 428-433
|
artikel
|
| 9 |
Rayleigh and Raman light scattering in hydrogen-bonded acetonitrile–water
|
Rissi, Eduardo
|
|
2003
|
110 |
6 |
p. 360-366
|
artikel
|
| 10 |
Self-consistent-field – Hartree–Fock method with finite nuclear mass corrections
|
Gonçalves, Cristina P.
|
|
2003
|
110 |
6 |
p. 367-370
|
artikel
|
| 11 |
Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism
|
Gavernet, Luciana
|
|
2003
|
110 |
6 |
p. 434-440
|
artikel
|
| 12 |
The maximum hardness and minimum polarizability principles as the basis for the study of reaction profiles
|
Gómez, B.
|
|
2003
|
110 |
6 |
p. 421-427
|
artikel
|
| 13 |
Theoretical study of the adsorption of oxygen on a Cu(100) surface and the coadsorption with alkali atoms
|
Padilla-Campos, Luis
|
|
2003
|
110 |
6 |
p. 414-420
|
artikel
|
| 14 |
Theoretical study of the gas-phase thermolysis reaction of alkyl (ethyl, isopropyl, and tert-butyl) N,N-dimethylcarbamates and N,N-diethylcarbamates
|
Quijano, Camilo
|
|
2003
|
110 |
6 |
p. 377-386
|
artikel
|
| 15 |
Theoretical study on reactions catalyzed by gallium-substituted zeolites
|
Pereira, Márcio Soares
|
|
2003
|
110 |
6 |
p. 441-445
|
artikel
|
| 16 |
The Quitel-2002
|
Ventura, Oscar N.
|
|
2003
|
110 |
6 |
p. 359
|
artikel
|
| 17 |
Transferable group contributions for a variety of chemical phenomena and compounds
|
Alagona, G.
|
|
2003
|
110 |
6 |
p. 446-459
|
artikel
|
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