| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Development and assessment of a ChemInformatics model for accurate pKa prediction in aqueous medium
|
Sanchez, Alec J.
|
|
|
142 |
9 |
|
artikel
|
| 2 |
Electron density analysis on the alpha acidity of nitriles
|
López, José Luis
|
|
|
142 |
9 |
|
artikel
|
| 3 |
Exploring the potential and limitations of cyclopeptides as pharmaceutical drugs: a computational peptidology approach to the study of grassypeptolides A-G
|
Flores-Holguín, Norma
|
|
|
142 |
9 |
|
artikel
|
| 4 |
Finite difference representation of information-theoretic approach in density functional theory
|
Guo, Chunna
|
|
|
142 |
9 |
|
artikel
|
| 5 |
Insights into the spectral property and electronic structure of di-triphenylaniline-modified monothiophene, dithiophene and thienothiophene
|
Xing, Haowen
|
|
|
142 |
9 |
|
artikel
|
| 6 |
On the short and long phosphorescence lifetimes of aromatic carbonyls
|
Mukherjee, Saikat
|
|
|
142 |
9 |
|
artikel
|
| 7 |
Structure and electronic properties of Aun cluster (n = 2,4,6,8,10,12,14) in zirconium-based metal–organic framework (MOF-801): density functional theory studies
|
Pambudi, Fajar Inggit
|
|
|
142 |
9 |
|
artikel
|
| 8 |
Theoretical study of intermolecular interaction energy for F2⋯F2 complex
|
Albernaz, Alessandra F.
|
|
|
142 |
9 |
|
artikel
|
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