| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A trajectory surface hopping study of the vibration-induced autodetachment dynamics of the 1-nitropropane anion
|
Issler, Kevin
|
|
|
142 |
12 |
|
article
|
| 2 |
Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory
|
Mohammad-Salim, Haydar
|
|
|
142 |
12 |
|
article
|
| 3 |
Effect of Ge-doping on the adsorption of anions (F−, Cl−, Br−) onto the outer surface of boron nitride nanotube: a DFT study
|
Mohammadi, Marziyeh
|
|
|
142 |
12 |
|
article
|
| 4 |
Exploring unimolecular reactions in disilanol and ethanol: Insights and challenges
|
Vázquez, Saulo A.
|
|
|
142 |
12 |
|
article
|
| 5 |
Harnessing the power of curvilinear internal coordinates: from molecular structure prediction to vibrational spectroscopy
|
Mendolicchio, Marco
|
|
|
142 |
12 |
|
article
|
| 6 |
Intermolecular charge-transfer complex between solute and ionic liquid: experimental and theoretical studies
|
Kumar, Sumit
|
|
|
142 |
12 |
|
article
|
| 7 |
On the study of dye-sensitized solar cells with high light harvesting efficiency and correlation of its chemical reactivity parameters with overall performance
|
Dua, Harkishan
|
|
|
142 |
12 |
|
article
|
| 8 |
QTAIM based descriptors for the classification of acrylates
|
Rincón, David A.
|
|
|
142 |
12 |
|
article
|
| 9 |
Single alkali metal-doped hexalithioborazine complexes with exceptionally high value of polarizability and first hyperpolarizability: a DFT-based computational study
|
Mandal, Usha
|
|
|
142 |
12 |
|
article
|
| 10 |
The B3S monolayer as a high-capacity anode material for sodium-ion batteries: First-principles density functional theory approach
|
Saadh, Mohamed J.
|
|
|
142 |
12 |
|
article
|
| 11 |
The lowest singlet states of hexatriene revisited
|
Guareschi, Riccardo
|
|
|
142 |
12 |
|
article
|
| 12 |
Theoretical insights into benzophenone pollutants removal from aqueous solutions using graphene oxide nanosheets
|
Fazli, Samaneh
|
|
|
142 |
12 |
|
article
|
| 13 |
Theoretical study of reaction of urea with methylamine: nucleophilic addition pathway
|
Kozhanova, Ekaterina P.
|
|
|
142 |
12 |
|
article
|
Journal description