Nano Science and Technology Institute

Index of Keywords

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KeywordPaper title
density functional approximationDFT Calculation of interaction energies in model a…
density functional calculationsRaman study and DFT calculations of amino acids
density functional theoryAb initio Molecular Dynamics Simulations of Alumin…
 Theoretical Investigations of Diffusion and Cluste…
 11-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…
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