| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A dispersion-corrected density functional theory case study on ethyl acetate conformers, dimer, and molecular crystal
|
Brandenburg, Jan Gerit
|
|
2013
|
132 |
11 |
p. 1-6
|
artikel
|
| 2 |
How does the ambiguity of the electronic stress tensor influence its ability to reveal the atomic shell structure
|
Finzel, K.
|
|
2013
|
132 |
11 |
p. 1-13
|
artikel
|
| 3 |
Improved convergence of Hartree–Fock style excited-state wavefunctions using second-order optimisation with an exact Hessian
|
Richings, Gareth W.
|
|
2013
|
132 |
11 |
p. 1-9
|
artikel
|
| 4 |
Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach
|
Zanetti-Polzi, Laura
|
|
2013
|
132 |
11 |
p. 1-10
|
artikel
|
| 5 |
Naphthalene dimer and naphthalene dimer with Ar: calibration calculations and the effect of Ar on the stability and vibrational frequencies
|
Bauschlicher, Charles W.
|
|
2013
|
132 |
11 |
p. 1-8
|
artikel
|
| 6 |
Probing the performances of HISS functionals for the description of excited states of molecular systems
|
Paulino Neto, Romain
|
|
2013
|
132 |
11 |
p. 1-7
|
artikel
|
| 7 |
Shortcomings of CVD modeling of SiC today
|
Danielsson, Ö.
|
|
2013
|
132 |
11 |
p. 1-12
|
artikel
|
| 8 |
Theoretical study of the complex reaction of O(3P) with cis-2-butene
|
Messaoudi, Boulanouar
|
|
2013
|
132 |
11 |
p. 1-7
|
artikel
|
| 9 |
Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol
|
Kungwan, Nawee
|
|
2013
|
132 |
11 |
p. 1-10
|
artikel
|
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