| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A DFT study of the tautomerism of 1H-benzo[de]cinnolines and their protonated forms
|
Elguero, José
|
|
|
141 |
4 |
|
article
|
| 2 |
Au12C68: a hollow noble metal carbide
|
Zheng, Meng-Meng
|
|
|
141 |
4 |
|
article
|
| 3 |
B6C8 and its anion: a planar dodecagon reinforced by the central strong B−B single bond and aromaticity
|
Wang, Kang
|
|
|
141 |
4 |
|
article
|
| 4 |
Ciprofloxacin/Topoisomerase-II complex as a promising dual UV–Vis/fluorescent probe: accomplishments and opportunities for the cancer diagnosis
|
Sales, T. A.
|
|
|
141 |
4 |
|
article
|
| 5 |
Computation of photovoltaic and stability properties of hybrid organic–inorganic perovskites via convolutional neural networks
|
Aristizabal-Ferreira, Victor Alexander
|
|
|
141 |
4 |
|
article
|
| 6 |
Lewis acid-catalyzed Diels–Alder cycloaddition of 2,5-dimethylfuran and ethylene: a density functional theory investigation
|
Chellegui, Mohamed
|
|
|
141 |
4 |
|
article
|
| 7 |
Quantum study on the optoelectronic properties and chemical reactivity of phenoxazine-based organic photosensitizer for solar cell purposes
|
Afolabi, Samson Olusegun
|
|
|
141 |
4 |
|
article
|
| 8 |
Rationalizing the catalytic performance of Cr(III) complexes stabilized with alkylphosphanyl PNP ligands for selective ethylene tri-/tetramerization: a DFT study
|
Fan, Haonan
|
|
|
141 |
4 |
|
article
|
| 9 |
Theoretical investigations on a novel CL-20/LLM-105 cocrystal explosive by molecular dynamics method
|
Hang, Gui-yun
|
|
|
141 |
4 |
|
article
|
Journal description