Browsing by Keyword Ab initio calculations

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Showing results 35 to 38 of 38 < previous 
2003Vacuum preparation and ionization energies of FN3 and IN3Che, H; Bi, H; Zeng, Y; Meng, L; Zheng, S; Chau, FT; Wang, D
15-Jan-2011Vanishing critical thickness in asymmetric ferroelectric tunnel junctions : first principle simulationsCai, MQ; Zheng, Y; Ma, PW; Woo, CH
8-Nov-2002What is the ground electronic state of KO?Lee, EPF; Soldán, P; Wright, TG
22-Jun-2001The X˜²B₁, ²B₂, ²A₁, and ²A₂ states of oxygen difluoride cation (F₂ O⁺) : high-level ab initio calculations and simulation of the ultraviolet photoelectron spectrum of F₂OWang, D; Chau, FT; Mok, DKW ; Lee, EPF; Beeching, L; Ogden, JS; Dyke, JM