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PolyU Institutional Repository >
Browsing by Subject "Ab initio calculations"
Showing results 19 to 30 of 30
| Issue Date | Title | Author(s) | | 14-Feb-2009 | Gold nanotube encapsulation enhanced magnetic properties of transition metal monoatomic chains: an ab initio study | Zhu, Liyan; Wang, Jinlan; Ding, Feng |
| 8-Oct-2005 | Heavier alkali-metal monosulfides (KS, RbS, CsS, and FrS) and their cations | Lee, Edmond P. F.; Wright, Timothy G. |
| 28-Jan-2006 | Interaction potentials and spectroscopy of Hg⁺·Rg and Cd⁺·Rg and transport coefficients for Hg⁺ and Cd⁺ in Rg (Rg＝He―Rn) | Qing, Enming; Viehland, Larry A.; Lee, Edmond P. F.; Wright, Timothy G. |
| 8-Feb-2002 | The intermolecular potential energy surface of the He．NO⁺ cationic complex | Soldán, Pavel; Lee, Edmond P. F.; Wright, Timothy G. |
| 28-Aug-2006 | Mobility of O⁺ in He and interaction potential of HeO⁺ | Danailov, Danial M.; Brothers, Renee; Viehlanda, Larry A.; Johnsen, Rainer; Wright, Timothy G.; Lee, Edmond P. F. |
| 1-Jul-2004 | Spectroscopy of K⁺〮Rg and transport coefficients of K⁺ in Rg (Rg＝He ―Rn) | Viehland, Larry A.; Lozeille, Jérôme; Soldán, Pavel; Lee, Edmond P. F.; Wright, Timothy G. |
| 15-Aug-2003 | Spectroscopy of Na⁺．Rg and transport coefficients of Na⁺ in Rg(Rg＝He ―Rn) | Viehland, Larry A.; Lozeille, Jérôme; Soldán, Pavel; Lee, Edmond P. F.; Wright, Timothy G. |
| 15-May-1998 | A study of the dissociation of CH₃CH₂SH⁺ by collisional activation: evidence of nonstatistical behavior | Chen, Y.-J.; Stimson, S.; Fenn, P. T.; Ng, C. Y.; Li, Wai-kee; Ma, N. L. |
| 14-Jul-2011 | Theoretical study of Cl ‾ RG (rare gas) complexes and transport of Cl‾ through RG (RG = He-Rn) | Withers, Carolyn D.; Wright, Timothy G.; Viehland, Larry A.; Grossman, Leonid; Kirkpatrick, Charles C.; Lee, Edmond P. F. |
| 15-Jan-2011 | Vanishing critical thickness in asymmetric ferroelectric tunnel junctions: first principle simulations | Cai, Meng-Qiu; Zheng, Yue; Ma, Pui-wai; Woo, Chung-ho |
| 8-Nov-2002 | What is the ground electronic state of KO? | Lee, Edmond P. F.; Soldán, Pavel; Wright, Timothy G. |
| 22-Jun-2001 | The 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 F₂O | Wang, Dechao; Chau, Foo-tim; Mok, Daniel K. W.; Lee, Edmond P. F.; Beeching, Levi; Ogden, J. Steven; Dyke, John M. |
Showing results 19 to 30 of 30
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