| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio study of the potential energy surfaces for Na+I2 system
|
Feng, Dacheng
|
|
2002
|
355 |
3-4 |
p. 285-288
4 p.
|
artikel
|
| 2 |
An embedding scheme based on quantum linear-scaling methods
|
Bowler, D.R.
|
|
2002
|
355 |
3-4 |
p. 306-310
5 p.
|
artikel
|
| 3 |
Classical trajectory calculations of collision energy dependence of Penning ionization cross-sections for N2 and CO by He ∗ 23S; optimization of anisotropic model potentials
|
Yamazaki, Masakazu
|
|
2002
|
355 |
3-4 |
p. 311-318
8 p.
|
artikel
|
| 4 |
Coulson function and Hosoya index
|
Gutman, Ivan
|
|
2002
|
355 |
3-4 |
p. 378-382
5 p.
|
artikel
|
| 5 |
Density functional computational thermochemistry: solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine, CH2SO
|
Ventura, Oscar N.
|
|
2002
|
355 |
3-4 |
p. 207-213
7 p.
|
artikel
|
| 6 |
Dimensionality of proton transfer in the intramolecular hydrogen bond of formimidol
|
Špirko, V.
|
|
2002
|
355 |
3-4 |
p. 319-326
8 p.
|
artikel
|
| 7 |
Effect of ball milling on morphology of cup-stacked carbon nanotubes
|
Kim, Y.A.
|
|
2002
|
355 |
3-4 |
p. 279-284
6 p.
|
artikel
|
| 8 |
Electron detachment energies of AlAs− and AlAs2 −
|
Archibong, Edet F.
|
|
2002
|
355 |
3-4 |
p. 249-256
8 p.
|
artikel
|
| 9 |
Electrooxidation of CO on Ru(0001) and RuO2(100) electrode surfaces
|
Wang, W.B.
|
|
2002
|
355 |
3-4 |
p. 301-305
5 p.
|
artikel
|
| 10 |
Ensuring N-representability: Coleman's algorithm
|
Beste, A.
|
|
2002
|
355 |
3-4 |
p. 263-269
7 p.
|
artikel
|
| 11 |
Erratum to: “Quantum mechanical tunneling in methylamine dehydrogenase” [Chem. Phys. Lett. 347 (2001) 512–518]
|
Alhambra, Cristóbal
|
|
2002
|
355 |
3-4 |
p. 388-394
7 p.
|
artikel
|
| 12 |
Excited state interactions in the doubly hydrogen-bonded jet-cooled dimers of 4-aminophthalimide and 4-amino-N-methylphthalimide
|
Chen, Yu
|
|
2002
|
355 |
3-4 |
p. 270-278
9 p.
|
artikel
|
| 13 |
High charge flexibility of the surface dangling bonds on the Si(111)-7×7 surface and NH3 chemisorption: a DFT study
|
Lu, Xin
|
|
2002
|
355 |
3-4 |
p. 365-370
6 p.
|
artikel
|
| 14 |
Interfacial charge recombination via the triplet state? Mimicry of photoprotection in the photosynthetic process with a dye-sensitized TiO2 solar cell reaction
|
Weng, Yu-Xiang
|
|
2002
|
355 |
3-4 |
p. 294-300
7 p.
|
artikel
|
| 15 |
Methane activation by naked Ni0 atom: a theoretical study
|
Yang, Hua-Qing
|
|
2002
|
355 |
3-4 |
p. 233-240
8 p.
|
artikel
|
| 16 |
Observation of formation dynamics of solvated aromatic cation radicals following photoionization
|
Nakabayashi, Takakazu
|
|
2002
|
355 |
3-4 |
p. 241-248
8 p.
|
artikel
|
| 17 |
ONIOM-XS: an extension of the ONIOM method for molecular simulation in condensed phase
|
Kerdcharoen, Teerakiat
|
|
2002
|
355 |
3-4 |
p. 257-262
6 p.
|
artikel
|
| 18 |
Photoreaction dynamics of CH3I multilayers on GaAs(110): REMPI probing of the CH3 umbrella mode
|
Srivastava, Abneesh
|
|
2002
|
355 |
3-4 |
p. 371-377
7 p.
|
artikel
|
| 19 |
Preparation, characterization and surface modification of Cu metal nanoparticles
|
Kapoor, Sudhir
|
|
2002
|
355 |
3-4 |
p. 383-387
5 p.
|
artikel
|
| 20 |
Production and EPR characterization of exohedrally perfluoroalkylated paramagnetic lanthanum metallofullerenes: (La@C82)–(C8F17)2
|
Tagmatarchis, Nikos
|
|
2002
|
355 |
3-4 |
p. 226-232
7 p.
|
artikel
|
| 21 |
Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method
|
Honda, Y.
|
|
2002
|
355 |
3-4 |
p. 219-225
7 p.
|
artikel
|
| 22 |
Resonance-regime behaviour of a Förster-transfer fluorescent dye couple dissolved in a chiral nematic liquid crystal
|
Chambers, Martin
|
|
2002
|
355 |
3-4 |
p. 214-218
5 p.
|
artikel
|
| 23 |
Stable and metastable mixed crystals in the orientationally disordered state of the [(CH3)3CCl]+[(CH3)2CCl2] system
|
Pardo, Luis C.
|
|
2002
|
355 |
3-4 |
p. 339-346
8 p.
|
artikel
|
| 24 |
STM observation of the dissociation of a chromium tris-diketonato complex on Cu(100)
|
Grillo, S.E.
|
|
2002
|
355 |
3-4 |
p. 289-293
5 p.
|
artikel
|
| 25 |
Structures of small silver cluster cations (Ag n +, n<12): ion mobility measurements versus density functional and MP2 calculations
|
Weis, Patrick
|
|
2002
|
355 |
3-4 |
p. 355-364
10 p.
|
artikel
|
| 26 |
The effect of triple excitations in coupled cluster calculations of Raman scattering cross-sections
|
Pecul, Magdalena
|
|
2002
|
355 |
3-4 |
p. 327-338
12 p.
|
artikel
|
| 27 |
Tuning in on single molecular states: adsorption sites and STM images of maleic anhydride on Si(100)
|
Hofer, W.A.
|
|
2002
|
355 |
3-4 |
p. 347-354
8 p.
|
artikel
|
Tijdschrift beschrijving