nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Application of pseudo-diabatic electronic states buried in Hartree–Fock wavefunctions to describe bond dissociation processes
|
Murakami, Tomonori |
|
2015 |
1065 |
C |
p. 1-6 6 p. |
artikel |
2 |
Atomic polarization justified Fukui indices and the affinity indicators in aromatic heterocycles and nucleobases
|
Beker, Wiktor |
|
2015 |
1065 |
C |
p. 42-49 8 p. |
artikel |
3 |
Editorial Board
|
|
|
2015 |
1065 |
C |
p. IFC- 1 p. |
artikel |
4 |
Spin contamination analogy, Kramers pairs symmetry and spin density representations at the 2-component unrestricted Hartree–Fock level of theory
|
Bučinský, Lukáš |
|
2015 |
1065 |
C |
p. 27-41 15 p. |
artikel |
5 |
Structure, stability, and aromaticity of 2,4,6,1,3,5-trisilatriphosphabenzene versus 2,4,6-trisilatriazine: A quantum chemical approach
|
Rouf, Alvi Muhammad |
|
2015 |
1065 |
C |
p. 18-26 9 p. |
artikel |
6 |
Theoretical study of CH3SO3 −Na+⋅[H2O] n clusters: Implications for sea-salt methanesulfonate aerosols
|
Hernández-Soto, Heriberto |
|
2015 |
1065 |
C |
p. 7-11 5 p. |
artikel |
7 |
Theoretical study of the degradation mechanisms of substituted phenyltrimethylammonium cations
|
Xiang, Tiancheng |
|
2015 |
1065 |
C |
p. 12-17 6 p. |
artikel |
8 |
Understanding the mechanism of procedure-controlled enantioselectivity switch in cinchona alkaloid thiourea catalyzed [3+2] cycloaddition: H-bonds controlled enantioselectivity
|
He, Qi |
|
2015 |
1065 |
C |
p. 50-59 10 p. |
artikel |