| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules
|
Sparta, Manuel
|
|
2009
|
123 |
5-6 |
p. 413-429
|
artikel
|
| 2 |
A theoretical study of the thermodynamics and kinetics of small organosulfur compounds
|
Vandeputte, Aäron G.
|
|
2009
|
123 |
5-6 |
p. 391-412
|
artikel
|
| 3 |
Calculations and assignments of endohedral helium-3 chemical shifts of open-cage fullerenes and higher fullerenes
|
Wang, Guan-Wu
|
|
2009
|
123 |
5-6 |
p. 375-381
|
artikel
|
| 4 |
Density functional study on rare gas-noble metal closed-shell interaction in XeMX (M = Au, Ag, Cu; X = F, Cl, Br) systems
|
Fang, Hua
|
|
2009
|
123 |
5-6 |
p. 443-453
|
artikel
|
| 5 |
DNA bindings of a novel anticancer drug, trans-[PtCl2(isopropylamine)(3-picoline)], and kinetic competition of purine bases with protein residues in the bifunctional substitutions: a theoretical DFT study
|
Gao, Yan
|
|
2009
|
123 |
5-6 |
p. 455-468
|
artikel
|
| 6 |
Informatics and magnetic behavior of [Fe6S6]3+ superclusters
|
Czerwiñski, M.
|
|
2009
|
123 |
5-6 |
p. 513-520
|
artikel
|
| 7 |
Is high electric field capable of selectively inducing a covalent-like bond between polar and non-polar molecular species?
|
Rai, Dhurba
|
|
2009
|
123 |
5-6 |
p. 501-511
|
artikel
|
| 8 |
Locating seam minima for macromolecular systems
|
Madsen, Søren
|
|
2009
|
123 |
5-6 |
p. 477-485
|
artikel
|
| 9 |
Structure and stability of AuXenZ (n = 1–3, Z = −1, 0, +1) clusters
|
Xinying, Li
|
|
2009
|
123 |
5-6 |
p. 469-475
|
artikel
|
| 10 |
Study of water clusters in the n = 2–34 size regime, based on the ABEEM/MM model
|
Qian, Ping
|
|
2009
|
123 |
5-6 |
p. 487-500
|
artikel
|
| 11 |
Theoretical analysis on yellow emission of gallium nitride with vacancy defects or impurities
|
Hu, Xiao-Lin
|
|
2009
|
123 |
5-6 |
p. 521-525
|
artikel
|
| 12 |
Theoretical study on the mechanism of C2Cl3 + NO2 reaction
|
Li, Yan
|
|
2009
|
123 |
5-6 |
p. 431-441
|
artikel
|
| 13 |
Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control
|
Zazza, Costantino
|
|
2009
|
123 |
5-6 |
p. 383-390
|
artikel
|
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