| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Assessing the reliability of van der Waals DFT functionals to study the physisorption of molecular hydrogen on aromatic systems
|
Díaz, Cristina
|
|
2015
|
134 |
9 |
p. 1-8
|
artikel
|
| 2 |
Double-proton transfer mechanism in 1,8-dihydroxydibenzo[a,c]phenazine: a TDDFT and ab initio study
|
Xiao, Bo
|
|
2015
|
134 |
9 |
p. 1-8
|
artikel
|
| 3 |
Internal coordinates and orthogonality: features of the pseudoinverse of the Eliashevich–Wilsonian B-matrix
|
Kalincsák, F.
|
|
2015
|
134 |
9 |
p. 1-5
|
artikel
|
| 4 |
Metabolic mechanisms of caffeine catalyzed by cytochrome P450 isoenzyme 1A2: a theoretical study
|
Chen, Zeqin
|
|
2015
|
134 |
9 |
p. 1-14
|
artikel
|
| 5 |
Metallic and semiconducting 1D conjugated polymers based on –S–C$$\equiv $$≡C– repeating units in poly(sulfur acetylide)
|
Németh, Károly
|
|
2015
|
134 |
9 |
p. 1-6
|
artikel
|
| 6 |
Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom
|
Cioslowski, Jerzy
|
|
2015
|
134 |
9 |
p. 1-7
|
artikel
|
| 7 |
Second-order Møller–Plesset perturbation (MP2) theory at finite temperature: relation with Surján’s density matrix MP2 and its application to linear-scaling divide-and-conquer method
|
Kobayashi, Masato
|
|
2015
|
134 |
9 |
p. 1-10
|
artikel
|
| 8 |
Shell-structure-based functionals for the kinetic energy
|
Finzel, K.
|
|
2015
|
134 |
9 |
p. 1-10
|
artikel
|
| 9 |
Stability of dioctahedral 2:1 phyllosilicate edge structures based on pyrophyllite models
|
Lavikainen, Lasse P.
|
|
2015
|
134 |
9 |
p. 1-8
|
artikel
|
| 10 |
Topological coordinates for bar polyhex carbon structures
|
László, István
|
|
2015
|
134 |
9 |
p. 1-7
|
artikel
|
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