| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Derivation of the rovibrational Hamiltonian based on the tensor form: a new approach to generalized internal coordinates depending on the external parameters
|
Ebrahimi, H.
|
|
2008
|
106 |
19 |
p. 2263-2269
|
artikel
|
| 2 |
Direct ab initio dynamics calculations of the reaction rate for the hydrogen abstraction reaction of NCO with CH4 and C2H6
|
Pan, Ya-Ru
|
|
2008
|
106 |
19 |
p. 2255-2261
|
artikel
|
| 3 |
Effect of gas adsorption on momentum accommodation coefficients in microgas flows using molecular dynamic simulations
|
Sun, Jun
|
|
2008
|
106 |
19 |
p. 2325-2332
|
artikel
|
| 4 |
Graph-theoretical parameters for π-MO calculation of phenols from DFT-calculated energies: application to charge-transfer complexes
|
Tiwary, Amit S.
|
|
2008
|
106 |
19 |
p. 2271-2276
|
artikel
|
| 5 |
Penalty functions for combining coupled-cluster and perturbation amplitudes in local correlation methods with optimized orbitals
|
Lawler, Keith V.
|
|
2008
|
106 |
19 |
p. 2309-2324
|
artikel
|
| 6 |
Structural and energetic properties of α-amino acids: a first principles density functional study
|
Kishor, Shyam
|
|
2008
|
106 |
19 |
p. 2289-2300
|
artikel
|
| 7 |
Structures, vibrational spectra, and relative energetics of FC(O)ONO and FC(O)NO2 isomers at DFT and ab initio levels
|
Lesar, A.
|
|
2008
|
106 |
19 |
p. 2301-2308
|
artikel
|
| 8 |
The effects of interaction range, porosity and molecular association on the phase equilibrium of a fluid confined in a disordered porous media
|
Kumar, A. Naresh
|
|
2008
|
106 |
19 |
p. 2277-2288
|
artikel
|
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