| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A quantum chemical computational insight into the intramolecular hydrogen bond interaction in an antibacterial drug molecule-2-acetylindan-1,3-dione
|
Paul, Bijan Kumar
|
|
2013
|
1012 |
C |
p. 20-26
7 p.
|
artikel
|
| 2 |
A theoretical study of H- and I-abstraction reactions from CH3I molecule by I (2P3/2) atom and IO radical
|
Cours, Thibaud
|
|
2013
|
1012 |
C |
p. 72-83
12 p.
|
artikel
|
| 3 |
Aza-Diels–Alder addition of cyclopentadiene to propynyliminoglyoxylates
|
Teixeira, Filipe
|
|
2013
|
1012 |
C |
p. 54-59
6 p.
|
artikel
|
| 4 |
Density-functional study of structural, electronic, and magnetic properties of N-doped Zn n O n (n =2–13) clusters
|
Yong, Yongliang
|
|
2013
|
1012 |
C |
p. 14-19
6 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2013
|
1012 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Mechanistic and kinetic study on the SN2 and E2 reactions of Cl− with CH3OBr
|
Liu, Jianglong
|
|
2013
|
1012 |
C |
p. 27-32
6 p.
|
artikel
|
| 7 |
Molecular structure and solvent effects on the dipole moments and polarizabilities of some aniline derivatives
|
Targema, Msugh
|
|
2013
|
1012 |
C |
p. 47-53
7 p.
|
artikel
|
| 8 |
On the formation of the formate anion: Insights from population analyses
|
Witt, Alexander
|
|
2013
|
1012 |
C |
p. 8-13
6 p.
|
artikel
|
| 9 |
Quantum-chemical study of the Grignard reaction mechanism within the cluster model of reaction center
|
Panteleev, Sergey V.
|
|
2013
|
1012 |
C |
p. 60-71
12 p.
|
artikel
|
| 10 |
Quantum dynamics study on the exchange H+OH+ reaction
|
Xu, Wenwu
|
|
2013
|
1012 |
C |
p. 1-7
7 p.
|
artikel
|
| 11 |
Superalkali Li3M (M=Cl, Br, I) as a Lewis base in halogen bonding: A heavier halogen is a stronger Lewis base than a lighter halogen
|
Tian, WenKai
|
|
2013
|
1012 |
C |
p. 41-46
6 p.
|
artikel
|
| 12 |
Theoretical investigation of stereochemistry and solvent influence on antioxidant activity of ferulic acid
|
Urbaniak, Alicja
|
|
2013
|
1012 |
C |
p. 33-40
8 p.
|
artikel
|
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