| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A computational study into the mechanism and selectivities of the reaction of 1, 1-diaryl-2-isopropylidene-3-methylenecyclopropane (DIMCP) with C, N-diarylnitrone
|
Oyetey, Emmanuel Komla
|
|
|
143 |
6 |
|
article
|
| 2 |
Computational screening of matrix metalloproteinase 3 inhibitors to counteract skin aging from phytochemicals of Nelumbo nucifera Gaertn
|
Bisht, Amisha
|
|
|
143 |
6 |
|
article
|
| 3 |
DFT and machine learning for predicting hydrogen adsorption energies on rocksalt complex oxides
|
Domínguez-Castro, Adrian
|
|
|
143 |
6 |
|
article
|
| 4 |
Improving the stability of 2-phenyl-1,3-dimethyl imidazolium cations under alkaline conditions through various substitution strategies
|
Xiang, Tiancheng
|
|
|
143 |
6 |
|
article
|
| 5 |
Mechanistic investigation on the gas-phase thermal decomposition of triazene-bridged nitro-1,2,4-triazole
|
Ma, Congming
|
|
|
143 |
6 |
|
article
|
| 6 |
Non-covalent interactions constructor of 3D networks of Co (II) and Cu (II) complexes with pyridine ligands: systematic theoretical and experimental survey
|
Zargar, Nahid Sadat
|
|
|
143 |
6 |
|
article
|
| 7 |
Theoretical insights into the chiral separation of levobunolol
|
Maia, Pollyanna P.
|
|
|
143 |
6 |
|
article
|
| 8 |
Theoretical investigation to predict properties of CL-20/HMX cocrystal explosive with adulteration crystal defect: a molecular dynamics (MD) study
|
Hang, Gui-Yun
|
|
|
143 |
6 |
|
article
|
| 9 |
Topological analysis of the electron density in the chromium–manganese chalcogenide clusters, [E2CrMn2(CO)9]−2 (E = S, Se, Te)
|
Al-kirbasee, Nadia Ezzat
|
|
|
143 |
6 |
|
article
|
Journal description