| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An in silico study on the ring-size effect in ring enlargement Bellus-Claisen rearrangement
|
Ghadari, Rahim
|
|
2012
|
981 |
C |
p. 25-30
6 p.
|
artikel
|
| 2 |
A quantum chemical study on the antioxidant activity of bioactive polyphenols from peanut (Arachis hypogaea) and the major metabolites of trans-resveratrol
|
Mikulski, Damian
|
|
2012
|
981 |
C |
p. 38-46
9 p.
|
artikel
|
| 3 |
Comparisons of the halogen-bonded and hydrogen-bonded complexes of furan, thiophene and pyridine with Lewis acids (ClF, HCl)
|
Wang, Zhaoxu
|
|
2012
|
981 |
C |
p. 1-6
6 p.
|
artikel
|
| 4 |
Covalent hybridizations of carbon nanotubes through peptide linkages: A density functional approach
|
Mirzaei, Mahmoud
|
|
2012
|
981 |
C |
p. 47-51
5 p.
|
artikel
|
| 5 |
Cycloaddition of ethene on a series of single-walled carbon nanotubes
|
Lawson, Daniel B.
|
|
2012
|
981 |
C |
p. 31-37
7 p.
|
artikel
|
| 6 |
DFT study of the adsorption of Ni on Anatase (001) surface
|
Escamilla-Roa, E.
|
|
2012
|
981 |
C |
p. 59-67
9 p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
2012
|
981 |
C |
p. IFC-
1 p.
|
artikel
|
| 8 |
Reaction of group 16 analogues of ethoxyquin with hydrogen peroxide: A computational study
|
Collins, Sean P.
|
|
2012
|
981 |
C |
p. 68-72
5 p.
|
artikel
|
| 9 |
Revealing substituent effects on the electronic structure and planarity of Ni-porphyrins
|
Barbee, Jenna
|
|
2012
|
981 |
C |
p. 73-85
13 p.
|
artikel
|
| 10 |
Structure and electronic spectral property of coumarin–chalcone hybrids: A comparative study using conventional and long-range corrected hybrid functionals
|
Xue, Yunsheng
|
|
2012
|
981 |
C |
p. 90-99
10 p.
|
artikel
|
| 11 |
Taft equation in the light of NBO computations. Introduction of a novel polar computational substituent constant scale σ q ∗ for alkyl groups
|
Neuvonen, Kari
|
|
2012
|
981 |
C |
p. 52-58
7 p.
|
artikel
|
| 12 |
Theoretical study of medium-sized clusters of (Al2O3) n – From single cage to core–shell cage
|
Gu, YongBing
|
|
2012
|
981 |
C |
p. 86-89
4 p.
|
artikel
|
| 13 |
Theoretical study on the electronic structures and photophysical properties of a series of dithienylbenzothiazole derivatives
|
Li, Yan
|
|
2012
|
981 |
C |
p. 14-24
11 p.
|
artikel
|
| 14 |
Theoretical study on the mechanism for the reaction of F with CH2CHCH2Cl
|
Zhang, Yunju
|
|
2012
|
981 |
C |
p. 7-13
7 p.
|
artikel
|
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