nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Assessment of various density functionals for intermolecular N→Sn interactions: The test case of trimethyltin cyanide dimer
|
Matczak, Piotr |
|
2014 |
1036 |
C |
p. 31-43 13 p. |
artikel |
2 |
Atomic topology and electronic structure of a melt-spun Al92U8 metallic glass
|
Antipas, G.S.E. |
|
2014 |
1036 |
C |
p. 16-21 6 p. |
artikel |
3 |
CO oxidation on subnanometer AlPtn clusters
|
Guo, Ling |
|
2014 |
1036 |
C |
p. 7-15 9 p. |
artikel |
4 |
Editorial Board
|
|
|
2014 |
1036 |
C |
p. IFC- 1 p. |
artikel |
5 |
Intramolecular charge transfer in di-tert-butylaminobenzonitriles and 2,4,6-tricyanoanilines: A computational TDDFT study
|
Zgierski, Marek Z. |
|
2014 |
1036 |
C |
p. 1-6 6 p. |
artikel |
6 |
On carbon dioxide capture: An accurate ab initio study of the Li3N+CO2 insertion reaction
|
Varandas, A.J.C. |
|
2014 |
1036 |
C |
p. 61-71 11 p. |
artikel |
7 |
Quantum chemical investigations study of the effect of electron donor units on the structural, electronic and optoelectronic properties of diarylthienopyrazine analogs
|
Ait Aicha, Youssef |
|
2014 |
1036 |
C |
p. 22-30 9 p. |
artikel |
8 |
The intramolecular cation–π interaction of some aryl amines and its drastic influence on the basicity of them: AIM and NBO analysis
|
Kheirjou, Somayyeh |
|
2014 |
1036 |
C |
p. 51-60 10 p. |
artikel |
9 |
Theoretical studies on the kinetics of ring opening of 1-bicyclo[2.1.0]-pentanylmethyl, 1-bicyclo[3.1.0]-hexanylmethyl, and 1-bicyclo[4.1.0]-heptanylmethyl radicals
|
Han, Ling-Li |
|
2014 |
1036 |
C |
p. 72-76 5 p. |
artikel |
10 |
Theoretical study of (FH2X) n ·Y (X=P and As, n =1–4, Y=F−, Cl−, Br−, I−, NO3 − and SO4 2−): The possibility of anion recognition based on pnicogen bonding
|
Chen, YiShan |
|
2014 |
1036 |
C |
p. 44-50 7 p. |
artikel |