| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio investigation of structure, stability, thermal behavior and infrared spectra of (BN)4 cluster
|
Zhao, Ying-Qin
|
|
2018
|
1141 |
C |
p. 1-6
|
artikel
|
| 2 |
A density functional theory investigation of the fragmentation mechanism of deprotonated asparagine
|
Sun, Quan
|
|
2018
|
1141 |
C |
p. 45-52
|
artikel
|
| 3 |
Binding patterns of metal cations (Na+, K+, Cu2+, and Zn2+) with Trp-Trp di-peptide investigated by DFT, NBO, and MD simulation
|
Bhunia, Snehasis
|
|
2018
|
1141 |
C |
p. 7-14
|
artikel
|
| 4 |
Editorial Board
|
|
|
2018
|
1141 |
C |
p. ii
|
artikel
|
| 5 |
Seniority based energy renormalization group (Ω-ERG) approach in quantum chemistry: Initial formulation and application to potential energy surfaces
|
Bytautas, Laimutis
|
|
2018
|
1141 |
C |
p. 74-88
|
artikel
|
| 6 |
Theoretical insights into the magneto-structural correlation: Comparison between series of copper(I) and silver(I) metal complexes with nitronyl nitroxide radicals
|
Huang, Jiangen
|
|
2018
|
1141 |
C |
p. 53-65
|
artikel
|
| 7 |
Theoretical investigation of reaction kinetics and thermodynamics of the keto-enol tautomerism of 1, 3, 5-triazin-2, 4(1H, 3H)-dione and its substituted systems utilizing density functional theory and transition state theory methods
|
Singh, Pebam Munindro
|
|
2018
|
1141 |
C |
p. 15-40
|
artikel
|
| 8 |
Theoretical study of bromine halocarbons: Accurate enthalpies of formation
|
Jorgensen, Kameron R.
|
|
2018
|
1141 |
C |
p. 66-73
|
artikel
|
| 9 |
The weakly bound Ar-N2O complex: A new potential energy surface and microwave spectrum
|
Zhang, Chunzao
|
|
2018
|
1141 |
C |
p. 41-44
|
artikel
|
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