| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular dynamics simulation of methanol and acetonitrile: The effect of van der Waals interactions
|
Dias, Rafael F.
|
|
2019
|
714 |
C |
p. 172-177
|
artikel
|
| 2 |
Adsorption of CO2 on biphasic and amorphous calcium phosphates: An experimental and theoretical analysis
|
Souza, F.S.
|
|
2019
|
714 |
C |
p. 143-148
|
artikel
|
| 3 |
A novel low-temperature phase change material based on stearic acid and hexanamide eutectic mixture for thermal energy storage
|
Ma, Guixiang
|
|
2019
|
714 |
C |
p. 166-171
|
artikel
|
| 4 |
A superhard allotrope of carbon: Ibam-C and its BN phase
|
Cao, Ai-Hua
|
|
2019
|
714 |
C |
p. 119-124
|
artikel
|
| 5 |
A theoretical investigation of sugar and phosphate contributions to the activation barriers of guanine methylation by carcinogenic methane diazonium ion
|
Rojas, Arturo
|
|
2019
|
714 |
C |
p. 24-29
|
artikel
|
| 6 |
Atomistic and coarse-grained modeling of polyethyleneimine
|
Beu, Titus A.
|
|
2019
|
714 |
C |
p. 94-98
|
artikel
|
| 7 |
CdSe/TiO2 nanotubes for enhanced photoelectrochemical activity under solar illumination: Influence of soaking time in CdSe bath solution
|
Lai, Chin Wei
|
|
2019
|
714 |
C |
p. 6-10
|
artikel
|
| 8 |
CFCs replacements: Reactivity and atmospheric lifetimes of a series of Hydrofluoroolefins towards OH radicals and Cl atoms
|
Rivela, Cynthia B.
|
|
2019
|
714 |
C |
p. 190-196
|
artikel
|
| 9 |
Comment on ‘Dye-sensitized solar cells using Aloe Vera and Cladode of Cactus extracts as natural sensitizers’ [Chem. Phys. Lett. 679 (2017) 97–101]
|
Ehrmann, Andrea
|
|
2019
|
714 |
C |
p. 227-229
|
artikel
|
| 10 |
Computational discovery of the strongest base: Diethynylborazine dianion
|
Rohman, Shahnaz S.
|
|
2019
|
714 |
C |
p. 65-68
|
artikel
|
| 11 |
Concerted bond switching mechanism coupled with one-electron transfer for the oxygen-oxygen bond formation in the oxygen-evolving complex of photosystem II
|
Shoji, Mitsuo
|
|
2019
|
714 |
C |
p. 219-226
|
artikel
|
| 12 |
Core-shell structured TiO2@In2O3 for highly active visible-light photocatalysis
|
Du, Quanchao
|
|
2019
|
714 |
C |
p. 208-212
|
artikel
|
| 13 |
Dependence of NMR chemical shifts upon CH bond lengths of a methyl group involved in a tetrel bond
|
Scheiner, Steve
|
|
2019
|
714 |
C |
p. 61-64
|
artikel
|
| 14 |
DFT and AIMD prediction of a SNS manganese pincer complex for hydrogenation of acetophenone
|
Qian, Fangyuan
|
|
2019
|
714 |
C |
p. 37-44
|
artikel
|
| 15 |
Editorial Board
|
|
|
2019
|
714 |
C |
p. ii
|
artikel
|
| 16 |
Effect of double or single bonding in CH stretching signal propagation in organic molecules. A computational study
|
Miño-Galaz, Germán
|
|
2019
|
714 |
C |
p. 178-184
|
artikel
|
| 17 |
Electric field effects on 1-hydroxyacetone revealed by IR electroabsorption spectroscopy
|
Hiramatsu, Hirotsugu
|
|
2019
|
714 |
C |
p. 18-23
|
artikel
|
| 18 |
Exploring high temperature superconductivity mechanism from the conductivity equation obtained with the rate process theory and free volume concept
|
Hao, Tian
|
|
2019
|
714 |
C |
p. 99-102
|
artikel
|
| 19 |
Functionalization of thermally reduced graphite oxide and carbon nanotubes by p-sulfonatocalix[4]arene and supramolecular recognition of tyrosine
|
Aryal, Krishna Prasad
|
|
2019
|
714 |
C |
p. 69-73
|
artikel
|
| 20 |
Functionalized few-layered graphene oxide embedded in an organosiloxane matrix for applications in optical limiting
|
Maharjan, Surendra
|
|
2019
|
714 |
C |
p. 149-155
|
artikel
|
| 21 |
Geometry and bonding of small binary boron-aluminum clusters BnAln (n = 1–7): Electron donation and interlocking aromaticity
|
Mai, Dang Thi Tuyet
|
|
2019
|
714 |
C |
p. 87-93
|
artikel
|
| 22 |
Graphical abstract TOC
|
|
|
2019
|
714 |
C |
p. IBC
|
artikel
|
| 23 |
Graphical abstract TOC
|
|
|
2019
|
714 |
C |
p. OBC
|
artikel
|
| 24 |
Hierarchical core-shell tungsten oxide/TiO2 nanowires as an effective photocatalyst
|
Ding, Ran
|
|
2019
|
714 |
C |
p. 156-159
|
artikel
|
| 25 |
High performance NiO/MOx-Ce0.5Zr0.5O2 catalysts promoted with metal oxides for CH4-H2O reforming
|
Zhang, Jia
|
|
2019
|
714 |
C |
p. 74-80
|
artikel
|
| 26 |
Humidity controlled light transmittance of salt modified porous polymeric membranes
|
Chen, Ying-Tzu
|
|
2019
|
714 |
C |
p. 202-207
|
artikel
|
| 27 |
Insight into interaction mechanisms of binary mixture systems of explosion products (H2O, CO2, and N2) at extreme high pressures and temperatures
|
Xiong, Guolin
|
|
2019
|
714 |
C |
p. 103-110
|
artikel
|
| 28 |
Investigation of physicochemical properties between poly(ethylene glycol)/poly(vinylpyrrolidone) and 1-butyl-3-methylimidazolium dodecyl sulfate in aqueous solution
|
Pal, Amalendu
|
|
2019
|
714 |
C |
p. 45-52
|
artikel
|
| 29 |
Multichannel dissociation of physisorbed chlorobenzene by KrF laser radiation
|
Varakin, V.N.
|
|
2019
|
714 |
C |
p. 114-118
|
artikel
|
| 30 |
Photoinduced reversible isomerization of 9H-fluorene into 1H-fluorene by means of hydrogen-atom migration and the lowest electronically excited triplet state studied by matrix-isolation FTIR spectroscopy
|
Kumakura, Takehiro
|
|
2019
|
714 |
C |
p. 160-165
|
artikel
|
| 31 |
Quantifying partial hole-particle distance at the excited state: A revised version of the D CT index
|
Campetella, Marco
|
|
2019
|
714 |
C |
p. 81-86
|
artikel
|
| 32 |
Rational design of SR-Fe3O4@AMEO@SP composites with light and magnetism dual stimuli-responsive properties
|
Guan, Xiaoyu
|
|
2019
|
714 |
C |
p. 11-17
|
artikel
|
| 33 |
Reaction rate constants with OH radicals at 253–328 K and atmospheric implications for (CF3)2CHOCxH(2x + 1) (x = 1, 2, 3)
|
Li, Wei
|
|
2019
|
714 |
C |
p. 125-130
|
artikel
|
| 34 |
Response to Comment on “Dye-sensitized solar cells using Aloe Vera and Cladode of Cactus extracts as natural sensitizers”
|
Ganta, D.
|
|
2019
|
714 |
C |
p. 230-233
|
artikel
|
| 35 |
Surface structures and properties of forsterite in crystalline and glassy states
|
Nishizawa, Junya
|
|
2019
|
714 |
C |
p. 197-201
|
artikel
|
| 36 |
Synergic improvement on thermal dehydrogenation of the LaH3-MgH2-KBH4 system
|
Zhang, Huaiwei
|
|
2019
|
714 |
C |
p. 111-113
|
artikel
|
| 37 |
The band offset, Half-metallic and optical behavior in the CrSb/KCl [0 0 1] interface: By DFT calculation
|
Boochani, Arash
|
|
2019
|
714 |
C |
p. 53-60
|
artikel
|
| 38 |
The ferromagnetism of Sn1−xFexO2 films and nanostructure arrays prepared by magnetron sputtering
|
Chen, Shutian
|
|
2019
|
714 |
C |
p. 131-136
|
artikel
|
| 39 |
Theoretical study of the photodissociation reaction of methanol
|
Kayanuma, Megumi
|
|
2019
|
714 |
C |
p. 137-142
|
artikel
|
| 40 |
The structural origin of hydration repulsive force
|
Sun, Qiang
|
|
2019
|
714 |
C |
p. 30-36
|
artikel
|
| 41 |
The valence and ion-pair states of the N2I2 van der Waals complex
|
Baturo, V.V.
|
|
2019
|
714 |
C |
p. 213-218
|
artikel
|
| 42 |
Two polyhedral frameworks of an M12L24 spherical complex revealed by replica-exchange molecular dynamics simulations
|
Tachi, Yuhei
|
|
2019
|
714 |
C |
p. 185-189
|
artikel
|
| 43 |
Ultrathin sub-3 nm nitrogen-doped graphene quantum dot layers coated TiO2 nanocomposites as high-performance photocatalysts
|
Kim, Sejung
|
|
2019
|
714 |
C |
p. 1-5
|
artikel
|
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