| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Aromaticity of 15,16-dimethyldihydropyrene relative to benzene and strain energies of elusive [e]-fused bis-dimethyldihydropyrenes
|
Ayub, Khurshid
|
|
2015
|
1063 |
C |
p. 42-49
8 p.
|
artikel
|
| 2 |
Combined QM/MM studies on spectroscopic parameters of Compound I, Compound II, and related intermediates of cytochrome P450cam
|
Altun, Ahmet
|
|
2015
|
1063 |
C |
p. 35-41
7 p.
|
artikel
|
| 3 |
DFT/QTAIM analysis of the effect of late transition metal doping on methane selectivity in Fischer–Tröpsch catalysis
|
Psarras, Peter C.
|
|
2015
|
1063 |
C |
p. 1-9
9 p.
|
artikel
|
| 4 |
D4h Ni4C(B4N4H8)2: Square sheet sandwich complex containing the planar tetracoordinate carbon
|
Guo, Jin-Chang
|
|
2015
|
1063 |
C |
p. 19-23
5 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2015
|
1063 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Hydrogen oxidation reaction on Pd(111) electrode in alkaline media: Ab-initio DFT study of OH effects
|
Mazher, Javed
|
|
2015
|
1063 |
C |
p. 63-69
7 p.
|
artikel
|
| 7 |
Molecular dynamics simulation of inhibition mechanism of 3,5-dibromo salicylaldehyde Schiff’s base
|
Xie, Si-Wei
|
|
2015
|
1063 |
C |
p. 50-62
13 p.
|
artikel
|
| 8 |
Quantum chemical modeling of the thermochemical characteristics and acidity of polynitroazole salts
|
Khakimov, Dmitriy
|
|
2015
|
1063 |
C |
p. 24-28
5 p.
|
artikel
|
| 9 |
Structures, stabilities and properties of hollow (Al2O3) n clusters (n =10, 12, 16, 18, 24 and 33): Studied with density functional theory
|
Gu, YongBing
|
|
2015
|
1063 |
C |
p. 29-34
6 p.
|
artikel
|
| 10 |
Theoretical study on the thermal decomposition and isomerization of 3-Me-1-heptyl radical
|
Chen, Long
|
|
2015
|
1063 |
C |
p. 10-18
9 p.
|
artikel
|
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