| no |
title |
author |
magazine |
year |
volume |
issue |
page(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.
|
article
|
| 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.
|
article
|
| 3 |
CO oxidation on subnanometer AlPtn clusters
|
Guo, Ling
|
|
2014
|
1036 |
C |
p. 7-15
9 p.
|
article
|
| 4 |
Editorial Board
|
|
|
2014
|
1036 |
C |
p. IFC-
1 p.
|
article
|
| 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.
|
article
|
| 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.
|
article
|
| 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.
|
article
|
| 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.
|
article
|
| 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.
|
article
|
| 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.
|
article
|
Journal description