| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A globally accurate potential energy surface of $$\mathrm{HS_2}{(A\,^2A^\prime )}$$HS2(A2A′) and studies on the reaction dynamic of $$\mathrm{H}(^2\mathrm{S})+\mathrm{S_2}(a\,^1{\varDelta }_g)$$H(2S)+S2(a1Δg)
|
Song, Y. Z.
|
|
2017
|
136 |
3 |
p. 1-10
|
artikel
|
| 2 |
Asymmetric hydrogen bonding in formic acid–nitric acid dimer observed by quantum molecular dynamics simulations
|
Ngaojampa, Chanisorn
|
|
2017
|
136 |
3 |
p. 1-11
|
artikel
|
| 3 |
Characterizing magnesium bonds: main features of a non-covalent interaction
|
Tama, Rizalina
|
|
2017
|
136 |
3 |
p. 1-9
|
artikel
|
| 4 |
Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study
|
Bauzá, Antonio
|
|
2017
|
136 |
3 |
p. 1-8
|
artikel
|
| 5 |
[Cu(H2O)n]2+ (n = 1–6) complexes in solution phase: a DFT hierarchical study
|
Galván-García, Emir A.
|
|
2017
|
136 |
3 |
p. 1-14
|
artikel
|
| 6 |
Determination of exchange coupling constants in linear polyradicals by means of local spins
|
Oña, Ofelia B.
|
|
2017
|
136 |
3 |
p. 1-8
|
artikel
|
| 7 |
Molecular mechanism of the site-specific self-cleavage of the RNA phosphodiester backbone by a twister ribozyme
|
Świderek, Katarzyna
|
|
2017
|
136 |
3 |
p. 1-11
|
artikel
|
| 8 |
Singlet open-shell diradical nature and redox properties of conjugated carbonyls: a quantum chemical study
|
López-Carballeira, Diego
|
|
2017
|
136 |
3 |
p. 1-15
|
artikel
|
| 9 |
The catalytic performance of CunAu (n = 3–12) clusters for preferential oxidation of CO in hydrogen-rich stream
|
Zheng, Xiaoli
|
|
2017
|
136 |
3 |
p. 1-11
|
artikel
|
| 10 |
Theoretical study on the bridge comparison of TiO2 nanoparticle sensitizers based on phenoxazine in dye-sensitized solar cells
|
Jafari Chermahini, Zahra
|
|
2017
|
136 |
3 |
p. 1-10
|
artikel
|
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