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Publications tagged with this subject: 18

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1. A comparative ab intio study on structural evolution, stability and electronic properties of undoped and Al-doped GaxNy ( x + y = 4-25 clusters

2. Simulation of thin-TFETs using transition metal dichalcogenides: effect of material parameters, gate dielectric on electrostatic device performance

3. Investigation of the electronic, optoelectronics, and linear and nonlinear optical properties of the molecules heptacene ([7]acene) (C30H18) and [7]acene doped with potassium atom (C30H9K9)

4. Influence of barrier effects at interfaces on dynamic scattering of light in a nematic liquid crystal

5. Nitrogen substitution and vacancy mediated scandium metal adsorption on carbon nanotubes

6. Evaluating Minnesota 2006 density functionals against some challenging problems in DFT

7. Theoretical study of solvent effect on the ligand field parameter in [M(CO)6] n complexes (M = V–, Cr, Mn+, Fe2+)

8. A quantum chemical study of gallium(III) (μ-oxo)bis[phthalocyaninate] and gallium(III) (μ-oxo)bis[perfluorophthalocyaninate] molecules

9. The energy of electron affinity to a zirconium atom

10. The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

11. Estimating electron affinity from the lifetime of negative molecular ions: Cycloheptatriene derivatives

12. Theoretical study on electronic structures, spectra, and charge transporting properties of two Pt(II) complexes with triazenido ligands

13. Chlorine gas reaction with ZnO wurtzoid nanocrystals as a function of temperature: a DFT study

14. Thermal degradation kinetics and density functional study of a macromonomer containing dual-lactone

15. Comparison of GaAs photocathode grown by MOCVD and MBE: a first-principle and experimental research

16. Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices

17. Impact of S doping on the structural, electronic and magnetic properties of Cr n (n = 2 − 6) clusters

18. A first-principles study of Ni n Pd n (n = 1 − 5) clusters


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