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                             29 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab-initio molecular dynamics study on chemical decomposition reaction of α-HMX Feng, Shiquan

748 C p.
artikel
2 A comparative computational analysis on the photophysical and charge transport properties of three 5,5-bis(2,2-diphenylvinyl)-biheterocyclic compounds Hassan, Syeda Aqsa

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3 Aggregation induced, formaldehyde tailored nanowire like networks of Cu and their SERS activity Athira, K.

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4 Asymmetric effects of anions in magnetic ionic liquids Abe, Hiroshi

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5 A tetrabenzophenazine low voltage single molecule XOR quantum Hamiltonian logic gate Soe, We-Hyo

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6 Bipolar magnetic semiconductor properties and spin-dependent Seebeck effects induced by nanoscale graphene domains doped into armchair boron nitride nanoribbons Tan, Xingyi

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7 Chromium removal from water using granular ferric hydroxide adsorbents: An in-depth adsorption investigation and the optimization Rahimi Bourestan, Nader

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8 Combined ultrafast spectroscopic and TDDFT theoretical studies on dual fluorescence emissions promoted by ligand-to-metal charge transfer (LMCT) excited states of tungsten-containing organometallic complexes Liang, Yue

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9 Criegee intermediate decomposition pathways for the formation of o-toluic acid and 2-methylphenylformate Lakmuang, Chaiyaporn

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10 Design, preparation and properties of high-performance Z-scheme Bi2MoO6/g-C3N4-x composite photocatalyst Zhou, Boxun

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11 Dissociation energy of the HCN⋯HF dimer Sexton, Thomas More

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12 Editorial Board
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13 Electronic structure of sumanene-type Buckycatcher by DFT calculations Muraoka, Azusa

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14 Graphical abstract TOC
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15 Graphical abstract TOC
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16 Hydrothermal synthesis of gold nanoparticles using spider cobweb as novel biomaterial: Application to photocatalytic Vinay, S.P.

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17 Influence of different solvents on the preparation and photocatalytic property of BiOCl toward decontamination of phenol and perfluorooctanoic acid Liu, Huanhuan

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18 Local vibrational force constants – From the assessment of empirical force constants to the description of bonding in large systems Zou, Wenli

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19 Orbital-free density functional theory calculation applying semi-local machine-learned kinetic energy density functional and kinetic potential Fujinami, Mikito

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20 Probing Host-Guest inclusion complexes of Ambroxol Hydrochloride with α- & β-Cyclodextrins by physicochemical contrivance subsequently optimized by molecular modeling simulations Roy, Niloy

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21 Reduced graphene oxide/SnO2 nanocomposites for the photocatalytic degradation of rhodamine B: Preparation, characterization, photosensitization, vectorial charge transfer mechanism and identification of reaction intermediates Shyamala, R.

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22 Role of sulfur source on the structure of carbon nanotube cotton synthesized by floating catalyst chemical vapour deposition Yadav, Manishkumar D.

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23 Room-temperature transitional transport in LaH10 Chu, Kwang-Hua R.

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24 Sequence dependence of the conformational transitions of DNA Li, Ming-Ru

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25 Synthesis of Tb3+-Yb3+ coactivated CeO2 phosphors for two-photon assisted quantum cutting applications Lu, Chung-Hsin

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26 Tailoring eletronic structure of Pd nanoparticles via MnO2 as electron transfer intermediate for enhanced hydrogen evolution reaction Wu, Qiang

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27 The exposed amino acids on protein skeleton control protein adsorption on surface-engineered silver nanoparticles Mukherjee, Mousumi

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28 Tropospheric chemistry of ethyl tiglate initiated by Cl atoms Ramya, Cheramangalath Balan

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29 Urea as the best fibrin solubilizer in the thrombin inhibition analysis: Theoretical and experimental modeling of fibrinogen denaturation Pérez-Escalante, Emmanuel

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                             29 gevonden resultaten
 
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