| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio study of the properties of some lithium-bonded complexes – Comparison with their hydrogen-bonded analogues. 2. Natural bond orbital and quantum theory of atoms in molecules analysis
|
Ford, Thomas A.
|
|
2014
|
1042 |
C |
p. 63-68
6 p.
|
artikel
|
| 2 |
A TD-DFT study of the absorption spectra of mono-nitrated fluoranthenes
|
Onchoke, Kefa K.
|
|
2014
|
1042 |
C |
p. 23-34
12 p.
|
artikel
|
| 3 |
Charge distribution of poly (p-phenylene benzobisoxazole) investigated by quantum chemical simulation
|
Hu, Kun
|
|
2014
|
1042 |
C |
p. 1-7
7 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2014
|
1042 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Electron delocalization and relative stabilities for the favored and rare tautomers of hydroxyazines in the gas phase – A comparison with aminoazines
|
Raczyńska, Ewa D.
|
|
2014
|
1042 |
C |
p. 8-15
8 p.
|
artikel
|
| 6 |
Elucidating photodehalogenation mechanisms of polychlorinated and polybrominated dibenzo-p-dioxins and dibenzofurans and Mg2+ effects by quantum chemical calculations
|
Wang, Se
|
|
2014
|
1042 |
C |
p. 49-56
8 p.
|
artikel
|
| 7 |
On the gas-phase OsOn + (n =0–3) catalyzed reduction of N2O by H2: A density functional study
|
Zhang, Jianhui
|
|
2014
|
1042 |
C |
p. 35-40
6 p.
|
artikel
|
| 8 |
Probing the structure and aromaticity in the tungsten trimer W3 2+ and all-metal compounds W3X+/–, W3Y2+/0, and W3Al3+/+ (X=Li, Na, K and Y=Be, Mg, and Ca)
|
Jin, Biao
|
|
2014
|
1042 |
C |
p. 84-91
8 p.
|
artikel
|
| 9 |
The effects of germanium on the configurations and magnetic moments of nickel clusters
|
CuiJu, Feng
|
|
2014
|
1042 |
C |
p. 57-62
6 p.
|
artikel
|
| 10 |
Theoretical study of CO adsorption and oxidation on Au3–5 clusters supported on silico-aluminophospates
|
Griffe, Beulah
|
|
2014
|
1042 |
C |
p. 69-83
15 p.
|
artikel
|
| 11 |
Theoretical study of protonation of the B12H12 2− anion and subsequent hydrogen loss from the B12H13 −: Effect of the medium
|
Kochnev, Valentin Konstantinovich
|
|
2014
|
1042 |
C |
p. 16-22
7 p.
|
artikel
|
| 12 |
Theoretical study on the mechanism and thermodynamic of methanethiol and ozone reaction
|
Vahedpour, Morteza
|
|
2014
|
1042 |
C |
p. 41-48
8 p.
|
artikel
|
Tijdschrift beschrijving