| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio calculations of the structure, energetics and stability of Au n Ti (n =1–32) clusters
|
Toprek, Dragan
|
|
2016
|
1081 |
C |
p. 9-17
9 p.
|
article
|
| 2 |
A DFT and TDDFT investigation of interactions between pyrene and amino acids with cyclic side chains
|
Acar, Nursel
|
|
2016
|
1081 |
C |
p. 49-61
13 p.
|
article
|
| 3 |
Bisadducts of the C60 and C70 fullerenes with anthracene: Isomerism and DFT estimation of stability and polarizability
|
Sabirov, Denis Sh
|
|
2016
|
1081 |
C |
p. 44-48
5 p.
|
article
|
| 4 |
Comparative analysis of linear and non-linear transition state of hydrogen transfer reaction between benzoyl type radicals with skipped alkadienes
|
Song, Dandan
|
|
2016
|
1081 |
C |
p. 25-29
5 p.
|
article
|
| 5 |
Density function theory study of water gas shift reaction on 2Cu/ZnO ( 1 0 1 ¯ 0 ) surface
|
Cong, Vo Thanh
|
|
2016
|
1081 |
C |
p. 62-70
9 p.
|
article
|
| 6 |
DFT computational investigation of tuning the electron donating ability in metal-free organic dyes featuring a thienylethynyl spacer for dye sensitized solar cells
|
Seo, Dongkyun
|
|
2016
|
1081 |
C |
p. 30-37
8 p.
|
article
|
| 7 |
Editorial Board
|
|
|
2016
|
1081 |
C |
p. IFC-
1 p.
|
article
|
| 8 |
Electronic structures and solvent effects of unsymmetrical neo-confused porphyrin: DFT and TDDFT–IEFPCM investigations
|
Cao, Hong-Yu
|
|
2016
|
1081 |
C |
p. 18-24
7 p.
|
article
|
| 9 |
Reactive scattering of an electronically-excited nitrogen atom with H2 and its isotopic variants: N ( 2 D ) + H 2 / D 2 / T 2
|
Tanis, Emine
|
|
2016
|
1081 |
C |
p. 38-43
6 p.
|
article
|
| 10 |
The electric field effect on the hydrogen storage properties of (MgO)9
|
Yin, Yue-Hong
|
|
2016
|
1081 |
C |
p. 1-8
8 p.
|
article
|
Journal description