| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A global optimisation study of the low-lying isomers of the alumina octomer (Al2O3)8
|
Gobrecht, David
|
|
2018
|
711 |
C |
p. 138-147
|
artikel
|
| 2 |
Alkaline-earthide: A new class of excess electron compounds Li-C6H6F6-M (M = Be, Mg and Ca) with extremely large nonlinear optical responses
|
Hou, Jianhua
|
|
2018
|
711 |
C |
p. 55-59
|
artikel
|
| 3 |
A novel Ag nanoprism@SiO2@QD composite nanostructure for nano-optics
|
Li, Lianji
|
|
2018
|
711 |
C |
p. 178-183
|
artikel
|
| 4 |
A theoretical and experimental study on the effect of cationic moiety of quaternary ammonium tribromides in bromination reactions
|
Karmaker, Rituparna
|
|
2018
|
711 |
C |
p. 118-126
|
artikel
|
| 5 |
Composite material with high dielectric constant and low dielectric loss obtained through grafting of cyano groups in imidazolium ionic liquids
|
Huang, Xiang
|
|
2018
|
711 |
C |
p. 173-177
|
artikel
|
| 6 |
Decomposition of acetic acid over Ru and Ru/MgO catalyst clusters under DFT framework
|
Verma, Anand Mohan
|
|
2018
|
711 |
C |
p. 156-165
|
artikel
|
| 7 |
Editorial Board
|
|
|
2018
|
711 |
C |
p. ii
|
artikel
|
| 8 |
Efficient evaluation of poly-electron populations in natural bond orbital analysis
|
Glendening, Eric D.
|
|
2018
|
711 |
C |
p. 23-26
|
artikel
|
| 9 |
Evolution of the precursor solution and effect on morphology of perovskite film
|
Xing, Rang
|
|
2018
|
711 |
C |
p. 194-198
|
artikel
|
| 10 |
Frequency-dependent polarizabilities of diatomic molecules: Density functional theory and ab initio methods compared with quantum-defect Green function technique
|
Kornev, Aleksei S.
|
|
2018
|
711 |
C |
p. 42-47
|
artikel
|
| 11 |
Graphical abstract TOC
|
|
|
2018
|
711 |
C |
p. IBC
|
artikel
|
| 12 |
Graphical abstract TOC
|
|
|
2018
|
711 |
C |
p. OBC
|
artikel
|
| 13 |
Hydrogen-/fluorine-passivation effects in amorphous silica fiber
|
Peng, Zhixing
|
|
2018
|
711 |
C |
p. 189-193
|
artikel
|
| 14 |
In-situ synthesis of Ni nanoparticles confined within SiO2 networks with interparticle mesopores with enhanced selectivity for cinnamaldehyde hydrogenation
|
Wang, Fei
|
|
2018
|
711 |
C |
p. 152-155
|
artikel
|
| 15 |
Investigating the photodissociation of H2O2 using frequency modulation laser absorption spectroscopy to monitor radical products
|
Lockhart, James P.A.
|
|
2018
|
711 |
C |
p. 148-151
|
artikel
|
| 16 |
Liquid state property and intermetallic compound growth of Zr2Ni alloy investigated under electrostatic levitation condition
|
Wang, L.
|
|
2018
|
711 |
C |
p. 227-230
|
artikel
|
| 17 |
Long-lived negative molecular ions of TCNQ formed by the resonant capture of electrons with above zero energies
|
Khvostenko, Olga G.
|
|
2018
|
711 |
C |
p. 81-86
|
artikel
|
| 18 |
MoCoFeS hybridized with reduced graphene oxide as a new electrocatalyst for hydrogen evolution reaction
|
Askari, Mohammad Bagher
|
|
2018
|
711 |
C |
p. 32-36
|
artikel
|
| 19 |
Molecular docking and spectral analysis of (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)-methyl diethyldithiocarbamate : A potential bioactive agent
|
Philip, Bessy Mary
|
|
2018
|
711 |
C |
p. 87-99
|
artikel
|
| 20 |
Multipath VTST rate constants for D + methyl formate reactions: Importance of torsional anharmonicity and conformational flexibility for combustion chemistry
|
Roberto-Neto, Orlando
|
|
2018
|
711 |
C |
p. 132-137
|
artikel
|
| 21 |
On the general theory of bound state spectra in the Coulomb few- and many-body systems
|
Frolov, Alexei M.
|
|
2018
|
711 |
C |
p. 199-206
|
artikel
|
| 22 |
Optical characterization of tip bended Vertically Aligned Carbon Nanotubes array
|
Asyraf, M.R.M.
|
|
2018
|
711 |
C |
p. 37-41
|
artikel
|
| 23 |
Optimization of replica exchange temperature ladder under the well-tempered ensemble
|
Liu, Yang
|
|
2018
|
711 |
C |
p. 66-72
|
artikel
|
| 24 |
Photocatalytic mechanism of Au or Cl adsorption on the 1I-terminated BiOI (0 0 1) surface
|
Qu, Zhan
|
|
2018
|
711 |
C |
p. 48-54
|
artikel
|
| 25 |
Preparation of nitrogen doped carbon from tree leaves as efficient CO2 adsorbent
|
Xu, Jianguo
|
|
2018
|
711 |
C |
p. 107-112
|
artikel
|
| 26 |
Quantum chemical exploration of conversion pathways and isomeric structures of C16 molecules
|
Ohno, Koichi
|
|
2018
|
711 |
C |
p. 60-65
|
artikel
|
| 27 |
Raman spectrum & orange-yellow-light emission due to cadmium sulfide doped magnesium ions one-dimensional nanostructures
|
Zhang, Jun
|
|
2018
|
711 |
C |
p. 216-219
|
artikel
|
| 28 |
Resonance enhanced multiphoton ionization and mass analyzed threshold ionization spectroscopy of 4-fluorobenzonitrile
|
Zhao, Yan
|
|
2018
|
711 |
C |
p. 127-131
|
artikel
|
| 29 |
Simulation of experimental imaging results for four isotopic variants of the OH + CH4 reaction with a simple and relatively accurate theoretical approach
|
Bonnet, L.
|
|
2018
|
711 |
C |
p. 184-188
|
artikel
|
| 30 |
Structures and interactions among lysozyme proteins below the isoelectric point in presence of divalent ions
|
Pandit, Subhankar
|
|
2018
|
711 |
C |
p. 8-14
|
artikel
|
| 31 |
Sublimation enthalpy of 1-aminoadamantane: Comparison of theory and experiment
|
Dorofeeva, Olga V.
|
|
2018
|
711 |
C |
p. 231-235
|
artikel
|
| 32 |
Synthesis, crystal structure, vibrational spectra and thermal properties of novel ionic organic-inorganic hybrid material
|
Bourzami, Riadh
|
|
2018
|
711 |
C |
p. 220-226
|
artikel
|
| 33 |
Synthesis of porous BiOCl nanocubes with enhanced visible light photocatalytic performance
|
Sun, Jingyu
|
|
2018
|
711 |
C |
p. 207-212
|
artikel
|
| 34 |
Synthesis of ZnO particles with multi-layer and biomorphic porous microstructures and ZnO/rGO composites and their applications for photocatalysis
|
Jiang, Hao
|
|
2018
|
711 |
C |
p. 100-106
|
artikel
|
| 35 |
The convergence of the coupled cluster approach for MgO
|
Bauschlicher Jr., Charles W.
|
|
2018
|
711 |
C |
p. 27-31
|
artikel
|
| 36 |
The determination of CHARMM force field parameters for the Mg2+ containing HIV-1 integrase
|
Musyoka, Thommas
|
|
2018
|
711 |
C |
p. 1-7
|
artikel
|
| 37 |
The Mg/Zr codoping on morphology and electrochemical properties of Li4Ti5O12 anode materials
|
Li, Qinglin
|
|
2018
|
711 |
C |
p. 15-22
|
artikel
|
| 38 |
Theoretical investigation on structural effects of Pt–Mn catalyst on activity and selectivity for methylcyclohexane dehydrogenation
|
Manabe, Shota
|
|
2018
|
711 |
C |
p. 73-76
|
artikel
|
| 39 |
The transition state of the automerization reaction of cyclobutadiene: A theoretical approach using the Restricted Active Space Self Consistent Field method
|
Varras, Panayiotis C.
|
|
2018
|
711 |
C |
p. 166-172
|
artikel
|
| 40 |
Understanding the effects of the energy band alignment at the donor/acceptor interface on the open circuit voltage of organic photovoltaic devices
|
Luo, Huikang
|
|
2018
|
711 |
C |
p. 113-117
|
artikel
|
| 41 |
Upconversion luminescence and enhanced photocatalytic hydrogen production for Er3+ doped SrTiO3 nanopaeticles
|
Zhou, Dandan
|
|
2018
|
711 |
C |
p. 77-80
|
artikel
|
| 42 |
White-light-enhanced resistive switching in C/ZnO/C heterostructures
|
Wu, Liangchen
|
|
2018
|
711 |
C |
p. 213-215
|
artikel
|
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