| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Breakdown of the vibrationally adiabatic approximation in the early-barrier CH3 + HBr → CH4 + Br reaction
|
Wang, Yan
|
|
2017
|
136 |
5 |
p. 1-8
|
artikel
|
| 2 |
Calculation of the rate constants for concerted elimination reaction class of hydroperoxyl-alkyl-peroxyl radicals
|
Sun, Xiao-Hui
|
|
2017
|
136 |
5 |
p. 1-12
|
artikel
|
| 3 |
Computational prediction of the endohedral metalloborofullerenes Tin@B40 (n = 1, 2)
|
Jin, Peng
|
|
2017
|
136 |
5 |
p. 1-12
|
artikel
|
| 4 |
Computational study on the mechanism of the reaction of carbon dioxide with siloxy silanes
|
Kuniyil, Rositha
|
|
2017
|
136 |
5 |
p. 1-7
|
artikel
|
| 5 |
Exploring from ab initio calculations the structural and electronic properties of supported metal linear atomic chains on the NiAl (110) surface
|
Zornio, Bruno Fedosse
|
|
2017
|
136 |
5 |
p. 1-8
|
artikel
|
| 6 |
From nitrogen inversion in amines to stereoinversion in aminium salts: role of a single water molecule
|
Kaur, Ramanpreet
|
|
2017
|
136 |
5 |
p. 1-16
|
artikel
|
| 7 |
Insight into the excited-state intramolecular double-proton transfer of the 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol: one-step or stepwise mechanism?
|
Lu, Meiheng
|
|
2017
|
136 |
5 |
p. 1-7
|
artikel
|
| 8 |
Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density
|
Guevara-Vela, José Manuel
|
|
2017
|
136 |
5 |
p. 1-5
|
artikel
|
| 9 |
Structural and electronic properties of lead sulfide quantum dots from screened hybrid density functional calculations including spin–orbit coupling effects
|
Márquez, Antonio M.
|
|
2017
|
136 |
5 |
p. 1-7
|
artikel
|
| 10 |
Theoretical study on the reaction mechanism of carbaryl with NO3 radical
|
Cheng, Su
|
|
2017
|
136 |
5 |
p. 1-9
|
artikel
|
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