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                             25 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A comparative analysis of UV–vis transitions in hetaryl and ferrocenyl thioketones Matczak, Piotr

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artikel
2 A spectroscopic approach to compare the quantum chemical calculations and experimental characteristics of some organic molecules; Benzene, Toluene, P-Xylene, P-Toluidine Kınaytürk, Neslihan Kaya

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3 Asymmetric anion effects of anions in ionic liquids: Crystal polymorphs and magnetic properties Abe, Hiroshi

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4 Contents continued
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5 Editorial Board
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6 Effects of uniaxial strain on the electronic properties of cuprous oxide single-crystal films Wang, Kai

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7 Efficient electrocatalysts of single metal atom supported on defective graphene for oxygen reduction reaction (ORR): A first principles study Zhang, Ruixin

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8 Electronic structure of small metastable GAS-Phase boron clusters formed in a helium buffer GAS Popov, A.V.

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9 Exciton quantum dynamics in the molecular logic gates for quantum computing Yonetani, Yoshiteru

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10 First principles study of the effect of Cu/Ag/Au single doping and point defects on the magnetic and photocatalytic properties of ZnO Zhang, Hanye

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11 First, second and third order NLO response of alkaline earth metals doped C6O6Li6 organometallic complexes Kosar, Naveen

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12 Gas-sensing properties of Pb, Pd modified C3N4 for SF6 decomposition products detection: A DFT study Sun, Meiling

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13 Generalized complete orthonormal sets of Exponential-Type functions Demirdak, G.

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14 Graphical abstract TOC
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15 Graphical abstract TOC
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16 Influence of Pt or Au doping on improving the detection of CO by ZnO: A first-principles calculations study Wang, Shimin

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17 Molecular properties calculated with Gaussian basis sets optimized in molecule’s local environments Cha, Tong-Hyok

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18 Physical and optoelectronic properties of double halide perovskites A2CuSbX6 (A = Cs, Rb, K; X  = Cl, Br, I) based on first principles calculations Tang, Tian-Yu

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19 Potential energy surfaces for electron dynamics from a model of localized Gaussian wave packets with valence-bond spin-coupling: High-harmonic generation spectra from H and He atoms Ando, Koji

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20 Potential energy surfaces of the Cu 2 + ( NH 3 ) n = 1 − 10 clusters in solvent phase: A DFT study Da-yang, Tabouli Eric

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21 Preparation and characterization of Zr-containing silica residue purification loaded nano-TiO2 composite photocatalysts Chen, Wanting

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22 Preparation of the layered structure Ag@Co3O4 composites as peroxidase memetic for colorimetric detection of ascorbic acid Lian, Qi

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23 The mechanism of easier desorption of Fe atoms on the (100) surface of LiFePO4 and FePO4 Zhong, Kaifu

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24 Theoretical insights into the excited-state single and double proton transfer processes of DEASH in water Xin, Xin

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25 Vibrational effects on the valence electronic structure of acetaldehyde: An electron momentum spectroscopy investigation Abderahem, Mahliya

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                             25 gevonden resultaten
 
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