| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio investigation of Sarin micro-hydration
|
Alam, Todd M.
|
|
2012
|
995 |
C |
p. 24-35
12 p.
|
artikel
|
| 2 |
Ab initio study on the intermolecular interactions between 1,1-diamino-2,2-dinitroethylene and acetylene: Pull effect on complex formation
|
Venkatesan, V.
|
|
2012
|
995 |
C |
p. 49-54
6 p.
|
artikel
|
| 3 |
Conformations and torsional potentials of poly(3-hexylthiophene) oligomers: Density functional calculations up to the dodecamer
|
Bhatta, Ram S.
|
|
2012
|
995 |
C |
p. 36-42
7 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2012
|
995 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Exploring the effect of metal electrodes and the transport properties of 4,4′-Di-prop-1-ynyl-biphenyl molecular nanowire using quantum chemical calculation and charge density study
|
Jothi, M.
|
|
2012
|
995 |
C |
p. 79-91
13 p.
|
artikel
|
| 6 |
How is the stacking interaction of bilayer graphene affected by the presence of defects?
|
Denis, Pablo A.
|
|
2012
|
995 |
C |
p. 1-7
7 p.
|
artikel
|
| 7 |
Initiation of ring-opening polymerization of lactide: The effect of metal alkoxide catalyst
|
Cheshmedzhieva, Diana
|
|
2012
|
995 |
C |
p. 8-16
9 p.
|
artikel
|
| 8 |
Molecular dynamic simulations of polyacrylonitrile in ethanol and water solvents
|
Pires, José M.
|
|
2012
|
995 |
C |
p. 75-78
4 p.
|
artikel
|
| 9 |
Strain energy in enzyme–substrate binding: An energetic insight into the flexibility versus rigidity of enzyme active site
|
Guo, Xinchun
|
|
2012
|
995 |
C |
p. 17-23
7 p.
|
artikel
|
| 10 |
Structural study and vibrational spectra of 3-amino-2-(4-chlorophenyl) quinazolin-4(3H)-one
|
Castillo, María Victoria
|
|
2012
|
995 |
C |
p. 43-48
6 p.
|
artikel
|
| 11 |
Systematic quantum chemical research of the reaction of magnesium clusters with organic halides
|
Porsev, V.V.
|
|
2012
|
995 |
C |
p. 55-65
11 p.
|
artikel
|
| 12 |
Vibrations of polythiophenes
|
Pop, Sergiu C.
|
|
2012
|
995 |
C |
p. 66-74
9 p.
|
artikel
|
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