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Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect

DENSITY FUNCTIONAL THEORY CHARACTERISATION OF AZOBENZENE DERIVATIVES

Density Functional Theory Characterisation Of Azobenzene Derivatives

Density functional theory calculations on azobenzene derivatives: A comparative study of functional group effect

Ab-initio investigations of LuLiF4 compound under pressure

Ab-initio investigations of LuLiF4 compound under pressure

Ab initio simulation of helium inside carbon nanotubes

Recit veritable D’vne action prophane & extrauagante, arriuée Vendredy dernier 11. Iuin 1649. à la Messe du R. P. Benoist, Prestre de l’Oratoire, dans leur Eglise de S. Honoré à Paris, sur les sept à huit heures du matin
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Vibrational analysis of [4-[(E)-phenylazo] phenyl]ethanol based on the comparison between the experimental and DFT calculated raman spectra

Ab initio simulation of effects of structural singularities in aerogel absorption potential

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