| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A computational study of Neuromedin B
|
Sharma, Parul
|
|
2011
|
971 |
1-3 |
p. 1-7
7 p.
|
article
|
| 2 |
A theoretical study on the formation of “1+1” versus “2+2” macrocyclic Schiff base complexes in the absence of coordinated anions
|
Salehzadeh, Sadegh
|
|
2011
|
971 |
1-3 |
p. 30-37
8 p.
|
article
|
| 3 |
Computational studies of the mechanistic aspects of olefin metathesis reactions involving metal oxo-alkylidene complexes
|
Tia, Richard
|
|
2011
|
971 |
1-3 |
p. 8-18
11 p.
|
article
|
| 4 |
DFT and TD-DFT investigations of metal-free dye sensitizers for solar cells: Effects of electron donors and π-conjugated linker
|
Tai, Chin-Kuen
|
|
2011
|
971 |
1-3 |
p. 42-50
9 p.
|
article
|
| 5 |
Editorial Board
|
|
|
2011
|
971 |
1-3 |
p. i-
1 p.
|
article
|
| 6 |
Geometric and magnetic properties of the neutral MPb10 and [MPb10]2 clusters (M=Fe, Co, Ni)
|
Chen, Xuan
|
|
2011
|
971 |
1-3 |
p. 73-76
4 p.
|
article
|
| 7 |
On the basicity and π-electron delocalization of ‘hexaazabenzene’ N6 – Quantum-chemical studies
|
Raczyńska, Ewa D.
|
|
2011
|
971 |
1-3 |
p. 38-41
4 p.
|
article
|
| 8 |
Solvent effect on the UV/Vis absorption spectra in aqueous solution: The nonequilibrium polarization with an explicit representation of the solvent environment
|
Li, Yun-Kui
|
|
2011
|
971 |
1-3 |
p. 65-72
8 p.
|
article
|
| 9 |
Structures, stabilities & conformational behaviors of hydrogen-atom abstractions of cytosine nucleosides: AIM & NBO analysis
|
Tehrani, Zahra Aliakbar
|
|
2011
|
971 |
1-3 |
p. 19-29
11 p.
|
article
|
| 10 |
Tautomerism in polyguanide
|
Hatanaka, Masashi
|
|
2011
|
971 |
1-3 |
p. 58-64
7 p.
|
article
|
| 11 |
Theoretical study of mechanism and kinetics for OH-initiated oxidation of o-cresol in the troposphere
|
Wu, Pengzhen
|
|
2011
|
971 |
1-3 |
p. 51-57
7 p.
|
article
|
Journal description