| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
About the atomic shell structure in real space and the Pauli exclusion principle
|
Finzel, K.
|
|
2016
|
135 |
6 |
p. 1-6
|
artikel
|
| 2 |
A first principles investigation on the electron donor ability of synthetic melatonin derivatives: implications for their antioxidant activity
|
Galano, Annia
|
|
2016
|
135 |
6 |
p. 1-12
|
artikel
|
| 3 |
Characterizing off-diagonal regions of one-electron density matrix
|
Sandoval-Lira, Jacinto
|
|
2016
|
135 |
6 |
p. 1-10
|
artikel
|
| 4 |
Choice of hybrid functional and basis set optimization to calculate the structural, electronic, mechanical, and vibrational properties of BaSnO3
|
Duarte, Thiago M.
|
|
2016
|
135 |
6 |
p. 1-8
|
artikel
|
| 5 |
DFT modeling of plasma-assisted atomic layer deposition for Si(110) passivation: formation of boehmite-like chains as γ-Al2O3 precursors
|
Rybakov, Andrey A.
|
|
2016
|
135 |
6 |
p. 1-15
|
artikel
|
| 6 |
Effect of beryllium bonds on the keto–enol tautomerism of formamide derivatives: a subtle basicity–acidity balance
|
Lamsabhi, Al Mokhtar
|
|
2016
|
135 |
6 |
p. 1-9
|
artikel
|
| 7 |
Mechanism and kinetic study on the degradation of unsaturated esters initiated by OH radical
|
Sun, Shengmin
|
|
2016
|
135 |
6 |
p. 1-12
|
artikel
|
| 8 |
Mechanism for Ag (I)-catalyzed decarboxylative chlorination: a DFT study
|
Zhang, Xiang
|
|
2016
|
135 |
6 |
p. 1-9
|
artikel
|
| 9 |
Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
|
Alcoba, Diego R.
|
|
2016
|
135 |
6 |
p. 1-11
|
artikel
|
| 10 |
Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach
|
Cacelli, Ivo
|
|
2016
|
135 |
6 |
p. 1-17
|
artikel
|
| 11 |
Substituent effects on the properties related to detonation performance and stability for pentaprismane derivatives
|
Chi, Wei-Jie
|
|
2016
|
135 |
6 |
p. 1-10
|
artikel
|
| 12 |
The absorption and emission spectra in solution of oligothiophene-based push–pull biomarkers: a PCM/TD-DFT vibronic study
|
Stendardo, Emiliano
|
|
2016
|
135 |
6 |
p. 1-17
|
artikel
|
| 13 |
The aromaticity and electronic properties of monosubstituted benzene, borazine and diazadiborine rings: an ab initio MP2 study
|
Srivastava, Ambrish Kumar
|
|
2016
|
135 |
6 |
p. 1-7
|
artikel
|
| 14 |
The stability of the double amino acid with respect to deamination in gas and aqueous phases
|
Freza, Sylwia
|
|
2016
|
135 |
6 |
p. 1-6
|
artikel
|
| 15 |
Tryptophan versus nitric oxide, nitrogen dioxide and carbonate radicals: differences in reactivity and implications for oxidative damage to proteins
|
Pérez-González, Adriana
|
|
2016
|
135 |
6 |
p. 1-9
|
artikel
|
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