| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A correlation between the mean polarizability of the “kinked” polycyclic aromatic hydrocarbons and the number of H…H bond critical points predicted by Atoms-in-Molecules theory
|
Sabirov, D.Sh.
|
|
2014
|
1030 |
C |
p. 81-86
6 p.
|
artikel
|
| 2 |
A DFT study of the domino reactions between imidazole NHC, ketenimines and DMAD or MP acetylene derivatives yielding spiro-pyrroles
|
Esseffar, M’hamed
|
|
2014
|
1030 |
C |
p. 25-32
8 p.
|
artikel
|
| 3 |
Bell-shaped dependence of the rate of ultrafast photoinduced electron transfer from aromatic amino acids to the excited flavin on the donor–acceptor distance in FMN binding proteins
|
Nunthaboot, Nadtanet
|
|
2014
|
1030 |
C |
p. 9-16
8 p.
|
artikel
|
| 4 |
Configuration interaction calculations on the cyclic carbon clusters C8, C10, Pt@C8 and Pt@C10 and their anionic forms
|
Dee, Douglas M.
|
|
2014
|
1030 |
C |
p. 33-37
5 p.
|
artikel
|
| 5 |
Corrole dyes for dye-sensitized solar cells: The crucial role of the dye/semiconductor energy level alignment
|
Salvatori, Paolo
|
|
2014
|
1030 |
C |
p. 59-66
8 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2014
|
1030 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method
|
Fan, Guo-Hong
|
|
2014
|
1030 |
C |
p. 17-24
8 p.
|
artikel
|
| 8 |
First-principles study of the high-pressure behavior of solid 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane
|
Wu, Qiong
|
|
2014
|
1030 |
C |
p. 38-43
6 p.
|
artikel
|
| 9 |
Peculiar structure of the potential energy surfaces of typical electrocyclic reactions in the areas of the symmetry-forbidden reaction paths
|
Koval, Vitaliy V.
|
|
2014
|
1030 |
C |
p. 44-52
9 p.
|
artikel
|
| 10 |
Structures and electronic properties of lantern-like molecule BGe3H6N and its polymers
|
Li, Jinxia
|
|
2014
|
1030 |
C |
p. 74-80
7 p.
|
artikel
|
| 11 |
The nature of the I⋯I interactions and a comparative study with the nature of the π⋯π interactions
|
Wang, Weizhou
|
|
2014
|
1030 |
C |
p. 1-8
8 p.
|
artikel
|
| 12 |
Theoretical studies on an unusual [Ag]+⋯[Au]−⋯[Au]−⋯[Ag]+ metallophilic pattern: Dispersive forces vs. classical coulomb forces
|
Donamaría, Rocío
|
|
2014
|
1030 |
C |
p. 53-58
6 p.
|
artikel
|
| 13 |
Theoretical studies on the pyrolysis of thiocarbonates
|
Wu, Ping
|
|
2014
|
1030 |
C |
p. 67-73
7 p.
|
artikel
|
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