| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Adsorption manners of hydrogen on Pt(100), (110) and (111) surfaces at high coverage
|
Shi, Qiaocui
|
|
2017
|
1106 |
C |
p. 43-49
7 p.
|
article
|
| 2 |
Bimetallic PbnCun (n=2–14) clusters were investigated by density functional theory
|
Li, Gaofeng
|
|
2017
|
1106 |
C |
p. 21-27
7 p.
|
article
|
| 3 |
Complexation of the Zn, Co, Cd, and Pb ions by metallothioneins: A QM/MM simulation
|
Peshkov, Sergey A.
|
|
2017
|
1106 |
C |
p. 1-6
6 p.
|
article
|
| 4 |
Dissociation of methane on Ni4 cluster-A DFT study
|
Roy, Ghanashyam
|
|
2017
|
1106 |
C |
p. 7-14
8 p.
|
article
|
| 5 |
Editorial Board
|
|
|
2017
|
1106 |
C |
p. IFC-
1 p.
|
article
|
| 6 |
Negative ion Wolff rearrangement of some diazoketones: A theoretical mechanistic study
|
Arora, Ritu
|
|
2017
|
1106 |
C |
p. 50-57
8 p.
|
article
|
| 7 |
NO2 sensing properties of a borazine doped nanographene: A DFT study
|
Hosseinian, A.
|
|
2017
|
1106 |
C |
p. 36-42
7 p.
|
article
|
| 8 |
On the electronic structures and s/p-orbital aromaticity in the Hg3Al3 +/−, Hg3Al3Li, and Hg3Al3Be+ clusters
|
Jin, Biao
|
|
2017
|
1106 |
C |
p. 15-20
6 p.
|
article
|
| 9 |
Performance of DFT, MP2, and composite ab initio methods for the prediction of enthalpies of formations of CHON compounds using isodesmic reactions
|
Dorofeeva, Olga V.
|
|
2017
|
1106 |
C |
p. 28-35
8 p.
|
article
|
Journal description