| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A structural study on the azide–tetrazole equilibrium in the azidobenzothiazole system. DFT-treatment
|
Abu-Eittah, Rafie H.
|
|
2014
|
1033 |
C |
p. 52-59
8 p.
|
artikel
|
| 2 |
Editorial Board
|
|
|
2014
|
1033 |
C |
p. IFC-
1 p.
|
artikel
|
| 3 |
Gas-phase molecular structure and energetics of UVB filter 4-methylbenzylidene camphor: A computational study
|
Ferreira, Paulo J.O.
|
|
2014
|
1033 |
C |
p. 67-73
7 p.
|
artikel
|
| 4 |
Insight into the size effect on methanol decomposition over Cu-based catalysts based on density functional theory
|
Zuo, Zhi-Jun
|
|
2014
|
1033 |
C |
p. 14-22
9 p.
|
artikel
|
| 5 |
Mechanism and diastereoselectivity of the prebiotic synthesis of deoxyribonucleotide precursors C5-thiazoline: A DFT study
|
Gong, Weijuan
|
|
2014
|
1033 |
C |
p. 1-5
5 p.
|
artikel
|
| 6 |
Quantum chemical perspective of efficient NLO materials based on dipolar trans-tetraammineruthenium (II) complexes with pyridinium and thiocyanate ligands: First theoretical framework
|
Janjua, Muhammad Ramzan Saeed Ashraf
|
|
2014
|
1033 |
C |
p. 6-13
8 p.
|
artikel
|
| 7 |
Structural properties and relative stability of silver-doped gold clusters AgAu n − 1 (n =3–13): Density functional calculations
|
Tafoughalt, M.A.
|
|
2014
|
1033 |
C |
p. 23-30
8 p.
|
artikel
|
| 8 |
Study on adsorption and desorption of urea in lignosulfonate with molecular simulations
|
Li, Wenzhuo
|
|
2014
|
1033 |
C |
p. 60-66
7 p.
|
artikel
|
| 9 |
The mechanisms of nucleophilic substitution in 1-methyl-3,4,5-trinitropyrazole
|
Kletskii, Mikhail Е.
|
|
2014
|
1033 |
C |
p. 31-42
12 p.
|
artikel
|
| 10 |
Theoretical conformational analysis for chain systems with two conjugated double bonds in the gas phase and in solution
|
Nagy, Peter I.
|
|
2014
|
1033 |
C |
p. 43-51
9 p.
|
artikel
|
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