| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Activation enthalpies of pericyclic reactions: the performances of some recently proposed functionals
|
Tognetti, Vincent
|
|
2009
|
122 |
5-6 |
p. 257-264
|
artikel
|
| 2 |
Bidimensionality of 8-atom clusters of Au: first principles study and comparison with Ag clusters
|
Botana, Jorge
|
|
2009
|
122 |
5-6 |
p. 297-304
|
artikel
|
| 3 |
Cis–trans isomerization and spin multiplicity dependences on the static first hyperpolarizability for the two-alkali-metal-doped saddle[4]pyrrole compounds
|
Li, Zong-Jun
|
|
2009
|
122 |
5-6 |
p. 305-311
|
artikel
|
| 4 |
Docking and molecular dynamics studies on the stereoselectivity in the enzymatic synthesis of carbohydrates
|
Brás, Natércia F.
|
|
2009
|
122 |
5-6 |
p. 283-296
|
artikel
|
| 5 |
Fluorinated derivatives of mer-Alq3: energy decomposition analysis, optical properties, and charge transfer study
|
Irfan, Ahmad
|
|
2009
|
122 |
5-6 |
p. 275-281
|
artikel
|
| 6 |
Quantum chemical study of redox-switchable second-order optical nonlinearity in Keggin-type organoimido derivative [PW11O39(ReNC6H5)]n− (n = 2–4)
|
Guan, W.
|
|
2009
|
122 |
5-6 |
p. 265-273
|
artikel
|
| 7 |
Stochastic theory of direct simulation Monte Carlo method
|
Karabulut, Hasan
|
|
2009
|
122 |
5-6 |
p. 227-243
|
artikel
|
| 8 |
Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions
|
Estarellas, Carolina
|
|
2009
|
122 |
5-6 |
p. 325-332
|
artikel
|
| 9 |
Theoretical conformational study of six-membered cyclic allyl epoxides
|
Crotti, Paolo
|
|
2009
|
122 |
5-6 |
p. 245-256
|
artikel
|
| 10 |
Vibrational contributions to static linear and nonlinear optical coefficients: from two-level to two-band systems
|
Chou, Chia-Chun
|
|
2009
|
122 |
5-6 |
p. 313-324
|
artikel
|
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