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                             35 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio molecular dynamics studies on the transport mechanisms of oxygen atoms in the adiabatic reaction of Al/CuO nanothermite Xiong, Guolin

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2 Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations Shaikh, Abdul Rajjak

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3 Atomic size adjusted calculation of the magnetically induced current density Monaco, Guglielmo

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4 Cellulose-inspired synthesis of hierarchically nanostructured TiO2 with high photocatalytic activity Chang, Yongfang

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5 Contrastive factors of activity and crowding on conformational properties of a flexible polymer Cao, Xiuli

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6 Decoration in a Graphene-like Ising nanoparticle for the possibility of high critical temperature Kaneyoshi, T.

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7 Density and porosity of amorphous water ice by DFT methods Gómez, Pedro C.

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8 DFT analysis of H2S adsorbed zigzag and armchair graphene nanoribbons Suman, Harshika

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9 Editorial Board
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10 Effect of heteroatoms on aromaticity analyzed by geometric, magnetic, and electronic criteria Iwaki, Regina Akemi

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11 Effect of physical and chemical sulfate attack on performance degradation of concrete under different conditions Liu, Peng

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12 Effect of substitution on pyrazoline based donor-acceptor molecules as luminescent and their electrochemical properties Karuppusamy, A.

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13 Facile synthesis of Bi5O7NO3 with enhanced photocatalytic activity by a molten salt strategy and its photocatalytic performance Zhen, Zhuowu

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14 Flexible laser-induced-graphene omnidirectional sound device Zhang, Peng

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15 Fused pentagon carbon network: A new anode material for Li ion batteries Zeng, Tiantian

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16 Graphical abstract TOC
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17 Graphical abstract TOC
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18 Growth of carbonaceous material on silicon surface: Case study of 1,3-butadiene molecule Dangi, Beni B.

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19 Heat capacity of endohedral carbon nanotubes Rg@CNT (Rg = He, Ne, Ar and Kr) Koner, Arghadip

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20 Impact of crystallites on enhancement of bandgap of Mn1-xZnxFe2O4 (1 ≥ x ≥ 0) nanospinels Patade, Supriya R.

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21 Insitu FTIR studies for the enhanced activity of Pt(HY) and Pt-Ru(HY) zeolite catalysts for electrooxidation of methanol in fuel cells Samant, Purnakala

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22 Introduction of LiCl into SnO2 electron transport layer for efficient planar perovskite solar cells Huang, Yinyi

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23 Iridium nanoparticles anchored WO3 nanocubes as an efficient photocatalyst for removal of refractory contaminants (crystal violet and methylene blue) Dhanalakshmi, M.

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24 Isomerization and dehydrogenation of highly vibrationally excited azulene+ produced via S2 vibrational manifold Vinitha, M.V.

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25 Low-efficiency of gene expression with a long diamine is attributable to the effect on DNA zipping Tanaka, Hiroko

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26 Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation Hong, Yumei

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27 Microstructural, optical, electrochemical and magnetic properties of hydrothermal synthesized zincite/carbon (ZnO/C) composite Sivakumar, N.

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28 MnO2 nanosheets supported metal–organic framework MIL-125(Ti) towards efficient visible light photocatalysis: Kinetic and mechanistic study Haroon, Haamid

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29 Nonrelativistic protocol for calculating the 1J(195Pt-15N) coupling constant in Pt(II)-complexes using all-electron Gaussian basis-set Carvalho, J.

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30 Photochemical transformations of 4,6-dihydroxypyrimidine and 2-methyl-4,6-dihydroxypyrimidine isolated in low-temperature Ar, Ne and H2 matrices Rostkowska, Hanna

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31 Probe sonication synthesis of ZnFe2O4 NPs for the photocatalytic degradation of dyes and effect of treated wastewater on growth of plants Surendra, B.S.

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32 Size-dependent optical response of complex CoFe@Ag & CoFe@Au core-shell nanospheres Bhatia, Pradeep

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33 Theoretical study of greenhouse gases on the zirconium oxide nanotube surface Antônio Pinheiro Lobo, José

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34 The plasmon excitations in small lithium clusters: A time-dependent density functional theory study Hong, Xuhai

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35 The role of benzene rings in monitoring amino acids by SERS Gao, Ce

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                             35 gevonden resultaten
 
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