A density functional theory computational study of adsorption of Di-Meta-Cyano Azobenzene molecules on Si (111) surfaces

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Structural Studies of Catalytic Molecules via Local Density Functional Theory

Carpenter, J. E. / Fitzgerald, G. / Eades, R. A. | British Library Conference Proceedings | 1993

Density functional theory study of FePdn (n=2-14) clusters and interactions with small molecules

Ma, L. / Wang, J. / Hao, Y. et al. | British Library Online Contents | 2013

Density functional theory calculations on oxygen adsorption on the Cu2O surfaces

Yu, X. / Zhang, X. / Tian, X. et al. | British Library Online Contents | 2015

Anisotropy in oxidation of zirconium surfaces from density functional theory calculations

Chiang, Tsu-Wu / Chernatynskiy, Aleksandr / Noordhoek, Mark J. et al. | British Library Online Contents | 2015