| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A multi-reference coupled-cluster study on the potential energy surface of N2 including ground and excited states: spin projections and wavefunction overlaps
|
Hanrath, Michael
|
|
2008
|
122 |
3-4 |
p. 197-206
|
artikel
|
| 2 |
A quantum mechanics study on the reaction mechanism of chalcone formation from p-coumaroyl-CoA and malonyl-CoA catalyzed by chalcone synthase
|
Li, Dai-lin
|
|
2008
|
122 |
3-4 |
p. 157-166
|
artikel
|
| 3 |
A theoretical study on photodissociation of the A state of the H2S+ ion
|
Chang, Hai-Bo
|
|
2008
|
122 |
3-4 |
p. 189-196
|
artikel
|
| 4 |
A three-point method for evaluations of AMBER force field parameters: an application to copper-based artificial nucleases
|
Zhu, Yanyan
|
|
2009
|
122 |
3-4 |
p. 167-178
|
artikel
|
| 5 |
Circular dichroism of some high-symmetry chiral molecules: B3LYP and SAOP calculations
|
Trindle, Carl
|
|
2008
|
122 |
3-4 |
p. 145-155
|
artikel
|
| 6 |
Computational study of the ground state properties of iodine and polyiodide ions
|
Asaduzzaman, Abu Md
|
|
2008
|
122 |
3-4 |
p. 119-125
|
artikel
|
| 7 |
Density functional study of the influence of C5 cytosine substitution in base pairs with guanine
|
Moser, Adam
|
|
2008
|
122 |
3-4 |
p. 179-188
|
artikel
|
| 8 |
On the basis set superposition error in supermolecular calculations of interaction-induced electric properties: many-body components
|
Skwara, Bartłomiej
|
|
2008
|
122 |
3-4 |
p. 127-136
|
artikel
|
| 9 |
On the relation between the non-adiabatic vibrational reduced mass and the electric dipole moment gradient of a diatomic molecule
|
Kjær, Hanna
|
|
2008
|
122 |
3-4 |
p. 137-143
|
artikel
|
| 10 |
Theoretical mechanistic study on the radical-molecule reaction of CH2Br/CHBrCl with NO2
|
Jia, Xiu-Juan
|
|
2008
|
122 |
3-4 |
p. 207-216
|
artikel
|
| 11 |
Theoretical study on the two-dimensional second-order nonlinear optical properties: a series of charge-transfer covalently bonded organoimido derived hexamolybdate complexes
|
Si, Y. L.
|
|
2009
|
122 |
3-4 |
p. 217-226
|
artikel
|
Tijdschrift beschrijving