| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Density functional theory study of SnSe2 anode for multi-valence cations Ca-, Al- and Zn-ion battery applications
|
Chakrabarti, Shamik
|
|
|
144 |
4 |
|
article
|
| 2 |
Enantiomerization of helicenes on graphene-like surface: a DFT study
|
Liu, Xunshan
|
|
|
144 |
4 |
|
article
|
| 3 |
Interpretable data-driven modeling on the excited state mechanisms of (Ni, Pt)-centered phosphorescent materials
|
Soni, Kaushik
|
|
|
144 |
4 |
|
article
|
| 4 |
Properties and applications of basis sets with linearly dependent products
|
Sizov, Georgii N.
|
|
|
144 |
4 |
|
article
|
| 5 |
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for francium through oganesson
|
Dias, Anne Kéllen de Nazaré dos Reis
|
|
|
144 |
4 |
|
article
|
| 6 |
Theoretical investigation of functionalized diamond-like carbon with COOH, OH and NH2: a comprehensive DFT-D study
|
Brahimi, Nawal
|
|
|
144 |
4 |
|
article
|
| 7 |
Thermodynamics and structure of 2D aliphatic alcohol monolayers on graphene within semi-empirical quantum chemical approach
|
Kartashynska, Elena S.
|
|
|
144 |
4 |
|
article
|
Journal description