| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT approach for theoretical and experimental study of structure, electronic, Hirshfeld surface and spectroscopic properties of 12-(4-bromophenyl)-2-(prop-2-ynyloxy)-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-on single crystal
|
Singh, Harjinder
|
|
2019
|
524 |
C |
p. 1-13
|
artikel
|
| 2 |
A simulation of free radicals induced oxidation of dopamine in aqueous solution
|
Milovanović, Branislav
|
|
2019
|
524 |
C |
p. 26-30
|
artikel
|
| 3 |
BHx + (x = 1–6) clusters: In the quest for superalkali cation with B-core and H-ligands
|
Srivastava, Ambrish Kumar
|
|
2019
|
524 |
C |
p. 118-123
|
artikel
|
| 4 |
Combined temperature- and magnetic field-induced optical responses of phosphorene
|
Khoa, Doan Quoc
|
|
2019
|
524 |
C |
p. 113-117
|
artikel
|
| 5 |
Editorial Board
|
|
|
2019
|
524 |
C |
p. ii
|
artikel
|
| 6 |
Effects of the inter- and intra-molecular hydrogen bonding interactions in forming atmospheric malonic acid-containing clusters
|
Sheng, Xia
|
|
2019
|
524 |
C |
p. 14-20
|
artikel
|
| 7 |
Energy separation calculations of the vibrational ground state in the Jahn-Teller E ⊗ e system and application to nitrate radical
|
Tada, Kohei
|
|
2019
|
524 |
C |
p. 21-25
|
artikel
|
| 8 |
Evidences for phase transition and metallization in β-In2S3 at high pressure
|
Liu, Kaixiang
|
|
2019
|
524 |
C |
p. 63-69
|
artikel
|
| 9 |
Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra
|
Molteni, Elena
|
|
2019
|
524 |
C |
p. 92-100
|
artikel
|
| 10 |
First-order transitions in glasses and melts induced by solid superclusters nucleated and melted by homogeneous nucleation instead of surface melting
|
Tournier, Robert F.
|
|
2019
|
524 |
C |
p. 40-54
|
artikel
|
| 11 |
Graphical abstract TOC
|
|
|
2019
|
524 |
C |
p. IBC
|
artikel
|
| 12 |
Graphical abstract TOC
|
|
|
2019
|
524 |
C |
p. OBC
|
artikel
|
| 13 |
Investigation into the molecular and electronic structures of a newly synthesized o-quinone derivative
|
Hamamoto, Nobutsugu
|
|
2019
|
524 |
C |
p. 77-84
|
artikel
|
| 14 |
Photochemical reaction mechanisms of 4,5-dimethoxy-2-nitrobenzyl acetate analysed by a sub-10 fs near-ultraviolet pulse laser
|
Hashimoto, Sena
|
|
2019
|
524 |
C |
p. 70-76
|
artikel
|
| 15 |
Preface
|
|
|
2019
|
524 |
C |
p. 131-133
|
artikel
|
| 16 |
Structures of clusters surrounding ions stabilized by hydrogen, halogen, chalcogen, and pnicogen bonds
|
Scheiner, Steve
|
|
2019
|
524 |
C |
p. 55-62
|
artikel
|
| 17 |
The effect of impurity on the separation of CO2 from N2 by MCM-41: A simulation study
|
Salestan, Saeed Khoshhal
|
|
2019
|
524 |
C |
p. 124-130
|
artikel
|
| 18 |
The effects of the applied current and the measurement temperature on the negative differential resistance behaviour of carbonized xerogel
|
Najeh, I.
|
|
2019
|
524 |
C |
p. 85-91
|
artikel
|
| 19 |
The study of mechanical and thermoelectric behavior of MgXO3 (X = Si, Ge, Sn) for energy applications by DFT
|
Mahmood, Q.
|
|
2019
|
524 |
C |
p. 106-112
|
artikel
|
| 20 |
Tuning the electronic properties of GaS monolayer by strain engineering and electric field
|
Pham, Khang D.
|
|
2019
|
524 |
C |
p. 101-105
|
artikel
|
| 21 |
Water-mediated weakening of inter-ionic interactions in aqueous mixtures of ionic liquid: An investigation combining quantum chemical calculations and molecular dynamics simulations
|
Konar, Sukanya
|
|
2019
|
524 |
C |
p. 31-39
|
artikel
|
Tijdschrift beschrijving