| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative theoretical study of the hydride transfer mechanisms during LiAlH4 and LiBH4 reductions
|
Hori, Yuta
|
|
2016
|
1076 |
C |
p. 86-93
8 p.
|
artikel
|
| 2 |
A density functional theory study on the effect of silica support: Methane activation on nickel oxide clusters through a radical mechanism
|
Xi, Yanyan
|
|
2016
|
1076 |
C |
p. 65-73
9 p.
|
artikel
|
| 3 |
Adsorption of acridine orange and methylene blue synthetic dyes and anthracene on single wall carbon nanotubes: A first principle approach
|
Jauris, Iuri M.
|
|
2016
|
1076 |
C |
p. 42-50
9 p.
|
artikel
|
| 4 |
Aromaticity/antiaromaticity of phospha-analogues of carbocyclic ions: A DFT investigation
|
Gupta, Raakhi
|
|
2016
|
1076 |
C |
p. 1-10
10 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2016
|
1076 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Optical properties of V-shaped bis-coumarins: Ab initio insights
|
Budzák, Šimon
|
|
2016
|
1076 |
C |
p. 57-64
8 p.
|
artikel
|
| 7 |
Quantum chemical modeling of pyrene-4,5-dione adducts with cobalt diketonates
|
Starikova, Alyona A.
|
|
2016
|
1076 |
C |
p. 74-80
7 p.
|
artikel
|
| 8 |
Quantum dynamical studies of the He+HeH+ reaction using multi-configuration time-dependent Hartree approach
|
Bhattacharya, Sayak
|
|
2016
|
1076 |
C |
p. 81-85
5 p.
|
artikel
|
| 9 |
Relativistic equation-of-motion coupled-cluster method for the electron attachment problem
|
Pathak, Himadri
|
|
2016
|
1076 |
C |
p. 94-100
7 p.
|
artikel
|
| 10 |
Simultaneous interactions of amphoteric halogen in XY (X=Cl, Br and Y=F, Cl, Br) with C and O atoms of CO2 in ring-shaped CO2·X(Y)·CO2 complexes
|
Yang, Xing
|
|
2016
|
1076 |
C |
p. 32-41
10 p.
|
artikel
|
| 11 |
Systematic studies of the influence of electronegative X (X=F and Cl) substituents on the structure of the Mn–H–Si unit and the strength of the Mn⋯( η 2 -SiH) σ interaction in Cp(OC)2Mn[ η 2 -H(SiH3−nXn)] (n=0–3) complexes
|
Jabłoński, Mirosław
|
|
2016
|
1076 |
C |
p. 51-56
6 p.
|
artikel
|
| 12 |
The effect of cytosine methylation on its halogen-bonding properties
|
Marín-Luna, Marta
|
|
2016
|
1076 |
C |
p. 101-108
8 p.
|
artikel
|
| 13 |
Theoretical insights into the nature of bonding in group 13–group 15 compounds [REE′R] (E=B–Tl; E′=N–Bi; R=Me, Ph, Ar): Bonding energy analysis
|
Pandey, Krishna K.
|
|
2016
|
1076 |
C |
p. 23-31
9 p.
|
artikel
|
| 14 |
Theoretical study of the auto-catalyzed hydrolysis reaction of sulfur dioxide
|
Liu, Jingjing
|
|
2016
|
1076 |
C |
p. 11-16
6 p.
|
artikel
|
| 15 |
Understanding the torsion effects on optical properties of azobenzene derivatives
|
Ye, Yuanfeng
|
|
2016
|
1076 |
C |
p. 17-22
6 p.
|
artikel
|
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