| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio molecular orbitals studies and NBO analysis of conformational preference in 2-hydroxypiperidine
|
Zeinalinezhad, Alireza
|
|
2013
|
1024 |
C |
p. 52-60
9 p.
|
article
|
| 2 |
A theoretical study on magnetic properties of bis-TEMPO diradicals with possible application
|
Bhattacharya, Debojit
|
|
2013
|
1024 |
C |
p. 15-23
9 p.
|
article
|
| 3 |
B12N12 sodalite like cage as potential sensor for hydrogen cyanide
|
Baei, Mohammad T.
|
|
2013
|
1024 |
C |
p. 28-33
6 p.
|
article
|
| 4 |
Computational study on the mechanism of non-catalyzed and catalyzed bromolactonization
|
He, Xiaodan
|
|
2013
|
1024 |
C |
p. 45-51
7 p.
|
article
|
| 5 |
Editorial Board
|
|
|
2013
|
1024 |
C |
p. IFC-
1 p.
|
article
|
| 6 |
Electronic structure of phosphorus and arsenic-bridged cyclopentadienyl-manganese(II) dimers
|
Timoshkin, Alexey Y.
|
|
2013
|
1024 |
C |
p. 24-27
4 p.
|
article
|
| 7 |
Exploring accurate Poisson–Boltzmann methods for biomolecular simulations
|
Wang, Changhao
|
|
2013
|
1024 |
C |
p. 34-44
11 p.
|
article
|
| 8 |
Quasiclassical state-to-state dynamics of the F+HCl reaction on a ground 12A′ potential energy surface
|
Duan, Zhi-Xin
|
|
2013
|
1024 |
C |
p. 69-75
7 p.
|
article
|
| 9 |
Structure and electronic properties of lithium–silicon clusters
|
González, Sebastián I.
|
|
2013
|
1024 |
C |
p. 61-68
8 p.
|
article
|
| 10 |
Substituent effect in 1-X-decanes and 3-X-gonanes based on core-electron binding energies calculated with density-functional theory
|
Takahata, Yuji
|
|
2013
|
1024 |
C |
p. 9-14
6 p.
|
article
|
| 11 |
Theoretical studies of the ring opening metathesis reaction of 3,3-dimethyl cyclopropene with molybdenum catalyst
|
Meena, Jay Singh
|
|
2013
|
1024 |
C |
p. 1-8
8 p.
|
article
|
Journal description