| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Corrigendum to “Lin@Tetracyanoethylene (n = 1–4) systems: Lithium salt vs lithium electride” [Comput. Theor. Chem. 1149 (2019) 17–23]
|
Salehi, Navid
|
|
2019
|
1156 |
C |
p. 11
|
article
|
| 2 |
Density functional theory analysis for the limitations of fluoranthene-fused imide based small molecule acceptor materials in photovoltaic performance
|
Wu, Li-Na
|
|
2019
|
1156 |
C |
p. 37-42
|
article
|
| 3 |
Diabatic pseudofragmentation and nonadiabatic excitation-energy transfer in meta-substituted dendrimer building blocks
|
Ho, Emmeline K.-L.
|
|
2019
|
1156 |
C |
p. 25-36
|
article
|
| 4 |
Editorial Board
|
|
|
2019
|
1156 |
C |
p. ii
|
article
|
| 5 |
Effect of cavity size on the adsorption of small molecules on two isoreticular cobalt-based MOF: An ONIOM approach
|
Calderón, Jacqueline
|
|
2019
|
1156 |
C |
p. 1-10
|
article
|
| 6 |
Local structure and vibrational properties of molten lead halides PbX2 (X = Cl, Br, I) from ab initio molecular dynamics
|
Zakiryanov, Dmitry
|
|
2019
|
1156 |
C |
p. 20-24
|
article
|
| 7 |
Preface
|
Daniel, Chantal
|
|
2019
|
1156 |
C |
p. A1
|
article
|
| 8 |
TDDFT investigation of electronic and optical properties of diaryl-substituted naphtho[1,2-d:5,6-d′]bis-(oxaphosphole) compounds
|
Baek, Heehyun
|
|
2019
|
1156 |
C |
p. 12-19
|
article
|
| 9 |
The theoretical investigation on the properties of fluorine-substituted uracil
|
Zhang, Min
|
|
2019
|
1156 |
C |
p. 43-51
|
article
|
Journal description