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Index of Keywords

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KeywordPaper title
density functional theory11-cis-Retinal Protonated Schiff Base: The effect …
 The Structures of Carbon Nanotubes in their Pristi…
 A Comparative Theoretical Study of Carbon and Boro…
 Electron Energy-Loss Spectroscopy: Measuring Optic…
 Fast Density-Functional-Theory Calculation With Q-…
 Influence of His-195 on the nitrogenase FeMo-cofac…
 A Kinetic Study of the MOCVD of GaN
 A Multiscale investigation of the influence of sur…
 Characterization of Different Surfaces Morphology …
 Theoretical Investigation CrO2 as a Spin-Polarized…
 A Mechanistic Investigation on 1,5- to 2,6-Dimethy…
 Comparing the Stabilities of Nanoclusters and Clus…
 Characterizing the Oxygen Reduction Reaction for t…
 Comparing the Effect of 2nd Row Dopants on the Car…
 Novel first-principle simulations of 3D atomistic …
 Tailoring Molecular Devices for its Electronic Pro…
 Investigation of Optical Properties of layered MoS…
density functional theory calculationsDensity Functional Calculations as a Tool for the …
density gradientDirect Source to Drain Tunnelling and its Impact o…
 Density Gradient Quantum Surface Potential
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