| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative study between post-Hartree–Fock methods and density functional theory in closed-shell aurophilic attraction
|
Mendizabal, Fernando
|
|
2015
|
1057 |
C |
p. 74-79
6 p.
|
artikel
|
| 2 |
Catalytic activity prediction of different metal surfaces for N2O catalytic decomposition by density functional theory
|
Chen, Hao
|
|
2015
|
1057 |
C |
p. 1-6
6 p.
|
artikel
|
| 3 |
Editorial Board
|
|
|
2015
|
1057 |
C |
p. IFC-
1 p.
|
artikel
|
| 4 |
Effect of external electric field on ground and singlet excited states of phenylalanine: A theoretical study
|
Bhattacharyya, Pradip Kr.
|
|
2015
|
1057 |
C |
p. 43-53
11 p.
|
artikel
|
| 5 |
Enthalpy of formation of CL-20
|
Dorofeeva, Olga V.
|
|
2015
|
1057 |
C |
p. 54-59
6 p.
|
artikel
|
| 6 |
First-principle investigation of thiophene adsorption on TM (Ni/Co/Mn)-doped (ZnO)15 nanotube
|
Yu, Ting
|
|
2015
|
1057 |
C |
p. 15-23
9 p.
|
artikel
|
| 7 |
Ionization and high-order harmonic generation from highly vibrational H 2 +
|
Phan, Ngoc-Loan
|
|
2015
|
1057 |
C |
p. 39-42
4 p.
|
artikel
|
| 8 |
Molecular insights accompanying aggregation in amino acid ionic liquids
|
Rao, Soniya S.
|
|
2015
|
1057 |
C |
p. 24-38
15 p.
|
artikel
|
| 9 |
Theoretical investigation of the static (hyper)polarizabilities and reorganization energy of 4,5-dicyanoimidazole chromophore and derivatives containing benzene rings and a saturated bridge
|
Marcano, Emildo
|
|
2015
|
1057 |
C |
p. 60-66
7 p.
|
artikel
|
| 10 |
Theoretical study of the complexes of tyrosine and tryptophan with biologically important metal cations in aqueous solutions
|
Kowalska-Baron, Agnieszka
|
|
2015
|
1057 |
C |
p. 7-14
8 p.
|
artikel
|
| 11 |
Theoretical study on the electron transport properties of chlorinated pentacene derivatives
|
Guo, Yalu
|
|
2015
|
1057 |
C |
p. 67-73
7 p.
|
artikel
|
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