| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio studies on acidity and tautomeric equilibrium constants of some benzoxa-, benzothia-, benzoselena-zolinone derivatives
|
Duran, Murat
|
|
2012
|
989 |
C |
p. 69-74
6 p.
|
artikel
|
| 2 |
Ab initio study of HXeF dimer and trimer
|
Cheng, Cheng
|
|
2012
|
989 |
C |
p. 39-43
5 p.
|
artikel
|
| 3 |
A molecule containing a stable carbon atom with all four bonds directed toward the same side of the nucleus
|
Zhang, Li
|
|
2012
|
989 |
C |
p. 65-68
4 p.
|
artikel
|
| 4 |
Application of self consistent reaction field theory to thermally induced exothermic reaction in energetic molecules
|
Miller, Michael
|
|
2012
|
989 |
C |
p. 86-89
4 p.
|
artikel
|
| 5 |
Atomic oxygen adsorption on Au (100) and bimetallic Au/M (M=Pt and Cu) surfaces
|
Jalili, S.
|
|
2012
|
989 |
C |
p. 18-26
9 p.
|
artikel
|
| 6 |
Atomic structure, comparative stability and electronic properties of hydroxylated Ti2C and Ti3C2 nanotubes
|
Enyashin, A.N.
|
|
2012
|
989 |
C |
p. 27-32
6 p.
|
artikel
|
| 7 |
Corrigendum to “Computational study of the molecular structure and reactive sites of the R and S isomers of persin diene” [J. Mol. Struct. (THEOCHEM) 869 (2008) 67–74]
|
Mendoza-Wilson, Ana María
|
|
2012
|
989 |
C |
p. 100-
1 p.
|
artikel
|
| 8 |
Editorial Board
|
|
|
2012
|
989 |
C |
p. IFC-
1 p.
|
artikel
|
| 9 |
New insights into the two catalyst cycles of the Pt+-catalyzed oxidation of methane by oxygen: Spin–orbit coupling, spin-inversion probabilities, and kinetic information
|
Xu, Xiang
|
|
2012
|
989 |
C |
p. 75-85
11 p.
|
artikel
|
| 10 |
Orthorhombic SrHfO3 (001) surfaces: Surface structure and electronic properties with first-principles calculations
|
Liu, Qi-Jun
|
|
2012
|
989 |
C |
p. 59-64
6 p.
|
artikel
|
| 11 |
Structures, stabilities, and magnetic properties of Cu-doped Zn n O n (n =3,9,12) clusters: A theoretical study
|
Yong, Yongliang
|
|
2012
|
989 |
C |
p. 90-96
7 p.
|
artikel
|
| 12 |
Theoretical studies on intramolecular methyl transfer in the 2-methoxy-pyridine derivative radical cations
|
Xiang, Zhang
|
|
2012
|
989 |
C |
p. 51-58
8 p.
|
artikel
|
| 13 |
Theoretical study of ammonia oxidation on platinum clusters – Adsorption of ammonia and water fragments
|
Daramola, Damilola A.
|
|
2012
|
989 |
C |
p. 7-17
11 p.
|
artikel
|
| 14 |
Theoretical study of molecular interactions of phosphorus ylide with hypohalous acids HOF, HOCl and HOBr
|
Zabaradsti, Abedien
|
|
2012
|
989 |
C |
p. 1-6
6 p.
|
artikel
|
| 15 |
Theoretical study on the complexation of bambus[6]uril with the fluoride anion
|
Toman, Petr
|
|
2012
|
989 |
C |
p. 97-99
3 p.
|
artikel
|
| 16 |
Theoretical study on the interaction of oxygen atom with C90 (D5h )
|
Wang, Donglai
|
|
2012
|
989 |
C |
p. 33-38
6 p.
|
artikel
|
| 17 |
Theoretical study on the mechanism and stereochemistry of salicylaldehyde–Al(III)-catalyzed hydrophosphonylation of benzaldehyde
|
Li, Weiyi
|
|
2012
|
989 |
C |
p. 44-50
7 p.
|
artikel
|
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