| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A molecular simulation study of the glass transition of cross-linked poly(dicyclopentadiene) networks
|
Elder, Robert M.
|
|
2015
|
637 |
C |
p. 103-109
7 p.
|
artikel
|
| 2 |
An initiation phenomenon of Al-PTFE under quasi-static compression
|
Feng, Bin
|
|
2015
|
637 |
C |
p. 38-41
4 p.
|
artikel
|
| 3 |
Approaching the double-faceted nature of the CX bond in halobenzenes with a bifunctional probe
|
El Hage, Krystel
|
|
2015
|
637 |
C |
p. 51-57
7 p.
|
artikel
|
| 4 |
Behavior of the Sapporo-nZP-2012 basis set family
|
Weber, Rebecca
|
|
2015
|
637 |
C |
p. 120-126
7 p.
|
artikel
|
| 5 |
Chemisorption of benzene on Pt (111) surface: A DFT study with van der Waals interaction
|
Ayishabi, P.K.
|
|
2015
|
637 |
C |
p. 182-188
7 p.
|
artikel
|
| 6 |
Contents
|
|
|
2015
|
637 |
C |
p. iii-xi
nvt p.
|
artikel
|
| 7 |
Dielectric properties and alternating current conductivity of sol–gel made La0.8Ca0.2FeO3 compound
|
Benali, A.
|
|
2015
|
637 |
C |
p. 7-12
6 p.
|
artikel
|
| 8 |
Editorial Board
|
|
|
2015
|
637 |
C |
p. CO2-
1 p.
|
artikel
|
| 9 |
Effect of [PO4]3−/[VO4]3− substitution on the structure and luminescence properties of Ca5[(P,V)O4)]3F:Eu3+ phosphors
|
Deng, Tongrong
|
|
2015
|
637 |
C |
p. 67-70
4 p.
|
artikel
|
| 10 |
Effects of Bi3+ ions on luminescence of dumbbell-like SrMoO4 and SrMoO4:Eu3+ microcrystals
|
Bai, Yanhong
|
|
2015
|
637 |
C |
p. 127-131
5 p.
|
artikel
|
| 11 |
Effects of morphology and surface area of the oxide nanostructures on the visible–light induced generation of hydrogen in ZnO(TiO2)/Cd1− x Zn x S and ZnO(TiO2)/Pt/Cd1− xZnxS heterostructures (x=0.0, 0.2)
|
Roy, Anand
|
|
2015
|
637 |
C |
p. 137-142
6 p.
|
artikel
|
| 12 |
Efficient prediction of high spin ground state stability in organic polyradicals under solvent effects
|
Zhu, Xun
|
|
2015
|
637 |
C |
p. 143-147
5 p.
|
artikel
|
| 13 |
Electron affinity and ionization potential of two-dimensional honeycomb sheets: A first principle study
|
Deng, Zexiang
|
|
2015
|
637 |
C |
p. 26-31
6 p.
|
artikel
|
| 14 |
Electronic structure and second hyperpolarizability of M(NA2)2 (M=Be, Mg, Ca; A=H, Li, Na) complexes
|
Banerjee, Paramita
|
|
2015
|
637 |
C |
p. 164-171
8 p.
|
artikel
|
| 15 |
Elucidating the high-k insulator α-Al2O3 direct/indirect energy band gap type through density functional theory computations
|
Santos, R.C.R.
|
|
2015
|
637 |
C |
p. 172-176
5 p.
|
artikel
|
| 16 |
Enhancing proton conduction via doping of supramolecular liquid crystals (4-alkoxybenzoic acids) with imidazole
|
Liang, Ting
|
|
2015
|
637 |
C |
p. 22-25
4 p.
|
artikel
|
| 17 |
Entrance dynamics of CH4 molecules through a methane–water interface
|
Murina, Ezequiel L.
|
|
2015
|
637 |
C |
p. 13-17
5 p.
|
artikel
|
| 18 |
Influence of nanoconfinement on the rotational dependence of line half-widths for 2–0 band of carbon oxide
|
Solodov, A.A.
|
|
2015
|
637 |
C |
p. 18-21
4 p.
|
artikel
|
| 19 |
Layer number dependence of carrier lifetime in graphenes observed using time-resolved mid-infrared luminescence
|
Watanabe, Hiroshi
|
|
2015
|
637 |
C |
p. 58-62
5 p.
|
artikel
|
| 20 |
Metal–ion binding by cyclic halogen-bonded structures: A theoretical study using M–(BrZ)4 clusters (Z=F or NH2; M=Li+, Na+, or Mg2+)
|
Parra, Ruben D.
|
|
2015
|
637 |
C |
p. 177-181
5 p.
|
artikel
|
| 21 |
Negativity of Fukui function of some isolated s and p block elements: The role of orbital relaxation effect
|
Bhattacharjee, Rituparna
|
|
2015
|
637 |
C |
p. 88-93
6 p.
|
artikel
|
| 22 |
Poisson–Fermi model of single ion activities in aqueous solutions
|
Liu, Jinn-Liang
|
|
2015
|
637 |
C |
p. 1-6
6 p.
|
artikel
|
| 23 |
QM/MM study on the aging mechanism of dichlorvos-inhibited acetylcholinesterase
|
Tang, Xiaowen
|
|
2015
|
637 |
C |
p. 97-102
6 p.
|
artikel
|
| 24 |
Quasi-superhydrophobic porous silicon surface fabricated by ultrashort pulsed-laser ablation and chemical etching
|
Pan, Huaihai
|
|
2015
|
637 |
C |
p. 159-163
5 p.
|
artikel
|
| 25 |
Stability improvement of C8H2 and C10H2 embedded in poly(vinyl alcohol) films with adsorption on gold nanoparticles
|
An, Kang
|
|
2015
|
637 |
C |
p. 71-76
6 p.
|
artikel
|
| 26 |
Structure and stability of multiply occupied methane clathrate hydrates
|
Liu, Jinxiang
|
|
2015
|
637 |
C |
p. 110-114
5 p.
|
artikel
|
| 27 |
Structure of nonuniform four-component fluid mixtures: A systematic investigation through density functional theory and simulation
|
Patra, Chandra N.
|
|
2015
|
637 |
C |
p. 32-37
6 p.
|
artikel
|
| 28 |
Studies on electrochemical properties of CuO–In2O3 based nanocomposites
|
Kumar, G. Mohan
|
|
2015
|
637 |
C |
p. 132-136
5 p.
|
artikel
|
| 29 |
The complex kinetics of the ice VI to ice XV hydrogen ordering phase transition
|
Shephard, Jacob J.
|
|
2015
|
637 |
C |
p. 63-66
4 p.
|
artikel
|
| 30 |
The effect of protonation site and conformation on surface-induced dissociation in a small, lysine containing peptide
|
Shaikh, Kulsum
|
|
2015
|
637 |
C |
p. 83-87
5 p.
|
artikel
|
| 31 |
The influence of carbon hybridization on coupling constants across CX⋯ClF dihalogen bond: A computational study
|
Masoodi, Hamid Reza
|
|
2015
|
637 |
C |
p. 153-158
6 p.
|
artikel
|
| 32 |
Theoretical analysis on the aromaticity of uracil: Important electronic configurations and solvent effect on the aromaticity
|
Udagawa, Taro
|
|
2015
|
637 |
C |
p. 115-119
5 p.
|
artikel
|
| 33 |
Thermodynamic and kinetic stability of zwitterionic histidine: Effects of gas phase hydration
|
Lee, Sung-Sik
|
|
2015
|
637 |
C |
p. 42-50
9 p.
|
artikel
|
| 34 |
Thermodynamic considerations in the formation of Janus-like TaSi2/Si nanoparticles by electron-beam evaporation
|
Nomoev, Andrei V.
|
|
2015
|
637 |
C |
p. 94-96
3 p.
|
artikel
|
| 35 |
Use of liquid crystals for imaging different inclusion abilities of α-cyclodextrin and β-cyclodextrin toward cetyltrimethyl ammonium bromide
|
Liao, Zhijian
|
|
2015
|
637 |
C |
p. 189-194
6 p.
|
artikel
|
| 36 |
Vibrational spectra and conformational analysis of desflurane. A cryosolution and ab initio study
|
Melikova, S.M.
|
|
2015
|
637 |
C |
p. 77-82
6 p.
|
artikel
|
| 37 |
Vibronic emission spectrum of 2-chloro-6-fluorobenzyl radical produced in corona discharge
|
Yoon, Young Wook
|
|
2015
|
637 |
C |
p. 148-152
5 p.
|
artikel
|
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