| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculation for vacancy-induced magnetism in ferroelectric Na0.5Bi0.5TiO3
|
Zhang, Yongjia
|
|
2011
|
967 |
2-3 |
p. 284-288
5 p.
|
artikel
|
| 2 |
Bond charge depletion, bond strength and the impact sensitivity of high energetic 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) molecule: A theoretical charge density analysis
|
David Stephen, A.
|
|
2011
|
967 |
2-3 |
p. 250-256
7 p.
|
artikel
|
| 3 |
Complexation of alkali–metal cations by conformationally rigid, stereoisomeric calix[4]arene crown ethers: A density functional theory study
|
Xia, Yong
|
|
2011
|
967 |
2-3 |
p. 235-242
8 p.
|
artikel
|
| 4 |
Density functional theory studies of energetic nitrogen-rich derivatives of substituted carbon-bridged diiminotetrazoles
|
Zhang, Chenchen
|
|
2011
|
967 |
2-3 |
p. 257-264
8 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2011
|
967 |
2-3 |
p. i-
1 p.
|
artikel
|
| 6 |
Initial decomposition of methyltrichlorosilane in the chemical vapor deposition of silicon-carbide
|
Wang, Xin
|
|
2011
|
967 |
2-3 |
p. 265-272
8 p.
|
artikel
|
| 7 |
On quasi-transferable molecular fragments. Part V: Free radicals; the dissociation of organic molecules, an improved Xα(LSD) approach
|
Fliszár, Sándor
|
|
2011
|
967 |
2-3 |
p. 243-249
7 p.
|
artikel
|
| 8 |
On the enthalpies of homolytic and heterolytic S–H bond cleavage in para and meta substituted thiophenols
|
Rimarčík, Ján
|
|
2011
|
967 |
2-3 |
p. 273-283
11 p.
|
artikel
|
| 9 |
Quantum chemical studies on peroxodisulfuric acid–sulfuric acid–water clusters
|
Toivola, Martta
|
|
2011
|
967 |
2-3 |
p. 219-225
7 p.
|
artikel
|
| 10 |
Size-dependent properties of amino-functionalized single walled carbon nanotubes
|
Doudou, Bessem Ben
|
|
2011
|
967 |
2-3 |
p. 231-234
4 p.
|
artikel
|
| 11 |
Stationary phase approximation of electron transfer rate constants for the spin-boson model with Debye spectral density
|
Nan, Guangjun
|
|
2011
|
967 |
2-3 |
p. 226-230
5 p.
|
artikel
|
| 12 |
Theoretical Study on Interactions of β-cyclodextrin with Trans-dichloro(dipyridine) platinum(II)
|
Xia, Yong
|
|
2011
|
967 |
2-3 |
p. 213-218
6 p.
|
artikel
|
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