| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio dynamics of unimolecular decomposition of β-propiolactone and β-propiolactam
|
V.-T. Mai, Tam
|
|
2017
|
686 |
C |
p. 55-59
|
artikel
|
| 2 |
A first-principles study of aryloxyanthraquinone-based optical molecular switch
|
Vakili, Mohamad
|
|
2017
|
686 |
C |
p. 140-147
|
artikel
|
| 3 |
Aluminum–phosphorus triple bonds: Do substituents make AlP synthetically accessible?
|
Lu, Jia-Syun
|
|
2017
|
686 |
C |
p. 60-67
|
artikel
|
| 4 |
A molecular heterojunction of zinc phthalocyanine and peanut-shaped fullerene polymer: A density functional study
|
Tanikawa, Kousei
|
|
2017
|
686 |
C |
p. 68-73
|
artikel
|
| 5 |
Benzthiazoline-2-thione (BTT) revisited: An experimental and theoretical endeavor to understand UV-spectra
|
Bandyopadhyay, Prasanta
|
|
2017
|
686 |
C |
p. 88-96
|
artikel
|
| 6 |
Contents
|
|
|
2017
|
686 |
C |
p. iii-xii
|
artikel
|
| 7 |
Corrigendum to “Manifestation of T-exciton migration in the kinetics of singlet fission in organic semiconductors” [Chem. Phys. Lett. 678 (2017) 283–288]
|
Shushin, A.I.
|
|
2017
|
686 |
C |
p. 223
|
artikel
|
| 8 |
Diffusion of hydrogen molecules in MOF-508a with a reversible open-dense framework: A computational study
|
Farzi, N.
|
|
2017
|
686 |
C |
p. 26-33
|
artikel
|
| 9 |
Direct reform of graphite oxide electrodes by using ambient plasma for supercapacitor applications
|
Kim, Ho Jun
|
|
2017
|
686 |
C |
p. 49-54
|
artikel
|
| 10 |
Editorial Board
|
|
|
2017
|
686 |
C |
p. IFC
|
artikel
|
| 11 |
Effect of single and multi-wall carbon nanotubes on the mechanical properties of Gd-123 superconducting phase
|
Anas, M.
|
|
2017
|
686 |
C |
p. 34-43
|
artikel
|
| 12 |
Energy-decomposition analysis of ion-neutral complexes along reaction coordinates of unimolecular proton-transfer reaction in gas phase: Comparison between 2-butanol radical ion and protonated 2-ethoxypropane ion
|
Sugimura, Natsuhiko
|
|
2017
|
686 |
C |
p. 124-130
|
artikel
|
| 13 |
Entropy of gaseous boron monobromide
|
Wang, Jian-Feng
|
|
2017
|
686 |
C |
p. 131-133
|
artikel
|
| 14 |
First-principles study of SO2 sensors based on phosphorene and its isoelectronic counterparts: GeS, GeSe, SnS, SnSe
|
Guo, Shiying
|
|
2017
|
686 |
C |
p. 83-87
|
artikel
|
| 15 |
Fluorescence lifetime, dipole orientation and bilayer polymer films
|
Ho, Xuan Long
|
|
2017
|
686 |
C |
p. 212-217
|
artikel
|
| 16 |
Hierarchical mordenite zeolite nano-rods bundles favourable to bulky molecules
|
Dai, Guang
|
|
2017
|
686 |
C |
p. 111-115
|
artikel
|
| 17 |
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
|
Zhou, Min
|
|
2017
|
686 |
C |
p. 173-177
|
artikel
|
| 18 |
Insight into chemical speciation based on solvent physical parameters: Illustration study using octahedral Pt(IV) complexes in several organic media
|
Jansat, Susanna
|
|
2017
|
686 |
C |
p. 148-154
|
artikel
|
| 19 |
Insights into the error bypass of 1-Nitropyrene DNA adduct by DNA polymerase ι: A QM/MM study
|
Li, Yanwei
|
|
2017
|
686 |
C |
p. 12-17
|
artikel
|
| 20 |
In situ TEM observation of novel chemical evolution of MnBr2 catalyzed by Cu under electron beam irradiation
|
Wang, Wei
|
|
2017
|
686 |
C |
p. 44-48
|
artikel
|
| 21 |
Large scale structural optimization of trimetallic Cu–Au–Pt clusters up to 147 atoms
|
Wu, Genhua
|
|
2017
|
686 |
C |
p. 103-110
|
artikel
|
| 22 |
Molten salt synthesis of NaNbxTa1−xO3 perovskites with enhanced photocatalytic activity
|
Wang, Meng
|
|
2017
|
686 |
C |
p. 18-25
|
artikel
|
| 23 |
Nanofiber/ZrO2-based mixed matrix separator for high safety/high-rate lithium–ion batteries
|
Xiao, Wei
|
|
2017
|
686 |
C |
p. 134-139
|
artikel
|
| 24 |
On the applicability of simplified state-to-state models of transport coefficients
|
Kustova, E.
|
|
2017
|
686 |
C |
p. 161-166
|
artikel
|
| 25 |
Organo−Zintl-based superatoms: [Ge9(CHO)3] and [Ge9(CHO)]
|
Reddy, G. Naaresh
|
|
2017
|
686 |
C |
p. 195-202
|
artikel
|
| 26 |
Probing the electronic environment of binary and ternary ionic liquid mixtures by X-ray photoelectron spectroscopy
|
Men, Shuang
|
|
2017
|
686 |
C |
p. 74-77
|
artikel
|
| 27 |
Reaction mechanisms of CO oxidation on cationic, neutral, and anionic X-O-Cu (X=Au, Ag) clusters
|
Zhang, Yan
|
|
2017
|
686 |
C |
p. 116-123
|
artikel
|
| 28 |
Revisiting the photophysics of 9-fluorenone: Ultrafast time-resolved fluorescence and theoretical studies
|
Chang, Chih-Wei
|
|
2017
|
686 |
C |
p. 218-222
|
artikel
|
| 29 |
Sodium citrate functionalized reusable Fe3O4@TiO2 photocatalyst for water purification
|
Li, Wenyu
|
|
2017
|
686 |
C |
p. 178-182
|
artikel
|
| 30 |
Solid state synthesis of CaTiO3:Dy3+/Eu3+ phosphors towards white light emission
|
Li, Fei
|
|
2017
|
686 |
C |
p. 78-82
|
artikel
|
| 31 |
Static second hyperpolarizability of diffuse electron compound M2X (M=Li, na; X=H, F): Ab-initio study of basis set effect and electron correlation
|
Hatua, Kaushik
|
|
2017
|
686 |
C |
p. 1-6
|
artikel
|
| 32 |
Study of bi-dimensional materials using a semi-empirical potential including a torsional term
|
Halac, E.B.
|
|
2017
|
686 |
C |
p. 97-102
|
artikel
|
| 33 |
Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study
|
Sredojević, Dušan N.
|
|
2017
|
686 |
C |
p. 167-172
|
artikel
|
| 34 |
The potential for the indirect crystal structure verification of methyl glycosides based on acetates’ parent structures: GIPAW and solid-state NMR approaches
|
Szeleszczuk, Łukasz
|
|
2017
|
686 |
C |
p. 7-11
|
artikel
|
| 35 |
The role of electrostatic interactions and solvent polarity on the 15N NMR shielding of azines
|
Modesto-Costa, Lucas
|
|
2017
|
686 |
C |
p. 189-194
|
artikel
|
| 36 |
The role of surface functionalities in fabricating supported Pd-P nanoparticles for efficient formic acid oxidation
|
Yu, Weizhen
|
|
2017
|
686 |
C |
p. 155-160
|
artikel
|
| 37 |
Water-resistance of macromolecules adsorbed on CH3NH3PbI3 surfaces: A first-principles study
|
Chen, Po-Tuan
|
|
2017
|
686 |
C |
p. 203-211
|
artikel
|
| 38 |
X-ray induced synthesis of a novel material: Stable, doped solid CO at ambient conditions
|
Pravica, Michael
|
|
2017
|
686 |
C |
p. 183-188
|
artikel
|
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