| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of sulfur adsorption on Ag–Au nanoalloys
|
Chang, Le
|
|
2016
|
1085 |
C |
p. 66-74
9 p.
|
artikel
|
| 2 |
Choosing an appropriate model chemistry in a big data context: Application to dative bonding
|
Almas, Qammar L.
|
|
2016
|
1085 |
C |
p. 46-55
10 p.
|
artikel
|
| 3 |
Deprotonation of flavonoids severely alters the thermodynamics of the hydrogen atom transfer
|
Klein, Erik
|
|
2016
|
1085 |
C |
p. 7-17
11 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2016
|
1085 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Hydrogen, oxygen and nitrogen adsorption on Rh n −1X (n =2–5, X=3d, 4d atoms) clusters: A DFT study
|
Liu, Yanqi
|
|
2016
|
1085 |
C |
p. 56-65
10 p.
|
artikel
|
| 6 |
Possible reasons that catalytic reactivity towards low-temperature CO oxidation has not been found in Au3 − cluster
|
Wang, Zhi-Yin
|
|
2016
|
1085 |
C |
p. 75-81
7 p.
|
artikel
|
| 7 |
TD-DFT study on the fluoride and copper ion sensing mechanism of pyrene N(4) phenyl thiosemicarbazone
|
Basheer, Sabeel M.
|
|
2016
|
1085 |
C |
p. 31-39
9 p.
|
artikel
|
| 8 |
The effects of exact exchange of density functionals on the evaluation of second hyperpolarizabilities of streptocyanines using sum-over-states method
|
Wang, Chao
|
|
2016
|
1085 |
C |
p. 40-45
6 p.
|
artikel
|
| 9 |
Theoretical investigation on activation of CH and CC bonds of 2-butyne by gas-phase Nb atom
|
Ma, Pan-Pan
|
|
2016
|
1085 |
C |
p. 23-30
8 p.
|
artikel
|
| 10 |
Theoretical studies on the electronic properties of alkyl chains
|
Zhang, Lisheng
|
|
2016
|
1085 |
C |
p. 18-22
5 p.
|
artikel
|
| 11 |
Twist effects on the electronic and photophysical characters of biphenyl and 4,4′-bis(phenylsulfonyl) biphenyl
|
Zhang, Lisheng
|
|
2016
|
1085 |
C |
p. 1-6
6 p.
|
artikel
|
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