Browsing by Keyword Ab initio calculations


???browse.nav.jump.subject???
0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
Showing results 34 to 38 of 38 < previous 
DateTitleAuthor(s)
14-Jul-2011Theoretical study of Cl ‾ RG (rare gas) complexes and transport of Cl‾ through RG (RG = He-Rn)Withers, CD; Wright, TG; Viehland, LA; Grossman, L; Kirkpatrick, CC; Lee, EPF
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