| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
DFT insight into Hashmi phenol synthesis catalyzed by Au single-walled nanotubes: mechanism and charge effect
|
Yan, Xiao
|
|
|
140 |
1 |
|
artikel
|
| 2 |
Electrostatic potentials at the nuclei of atoms and molecules
|
Politzer, Peter
|
|
|
140 |
1 |
|
artikel
|
| 3 |
Excitation energies through Becke’s exciton model within a Cartesian-grid KS DFT
|
Ghosal, Abhisek
|
|
|
140 |
1 |
|
artikel
|
| 4 |
Insights into the mechanism and regioselectivity of the [3 + 2] cycloaddition reactions of cyclic nitrone to nitrile functions with a molecular electron density theory perspective
|
Mohammad-Salim, Haydar A.
|
|
|
140 |
1 |
|
artikel
|
| 5 |
Multiresolution non-covalent interaction analysis for ligand–protein promolecular electron density distributions
|
Leherte, L.
|
|
|
140 |
1 |
|
artikel
|
| 6 |
Sodium isocyanide–Helium potential energy surface and astrophysical applications
|
Gharbi, C.
|
|
|
140 |
1 |
|
artikel
|
| 7 |
Study of self-assembly system of norfloxacin molecularly imprinted polymers based on simulated design
|
Wang, Xiaoshuang
|
|
|
140 |
1 |
|
artikel
|
| 8 |
The mechanism studies of catalytic chemoselective conjugate addition of amino alcohols to α,β-unsaturated ester
|
Han, Peilin
|
|
|
140 |
1 |
|
artikel
|
| 9 |
The role of the phosphorus lone pair in the low-energy binuclear phospholyl vanadium carbonyl structures: comparison with cyclopentadienyl analogues
|
Chen, Wenqian
|
|
|
140 |
1 |
|
artikel
|
| 10 |
Tuning the electronic effects in designing ligands for the inhibition of rotamase activity of FK506 binding protein
|
Wakchaure, Padmaja D.
|
|
|
140 |
1 |
|
artikel
|
| 11 |
Understanding the regioselectivity of the copper(I)- and ruthenium(II)- catalyzed [3 + 2] cycloadditions of azido derivative of ribose with terminal alkyne: a theoretical study
|
Yousfi, Youcef
|
|
|
140 |
1 |
|
artikel
|
| 12 |
Value of NMR relaxation parameters of diamagnetic molecules for quantum information processing: optimizing the coherent phase
|
dos Reis Lino, Jéssica Boreli
|
|
|
140 |
1 |
|
artikel
|
Tijdschrift beschrijving