Search Results - BADER, C~

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  1. 1

    Crystal land : artifice in Nabokov's English novels / (by) Julia Bader. by Bader, Julia

    Published 1972
    Book
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    Adsorption of C-82 on Si(100) by Paul C. Frangou, Steven Kenny, E. Sanville

    Published 2008
    “…The interactions between C82 molecules and the Si(1 0 0) surface have been explored via ab initio total energy calculations. …”
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  15. 15

    Adsorption of N@C-60 on Si(100) by David J. King, Steven Kenny, E. Sanville

    Published 2009
    “…The interactions between endohedrally doped N@C60 molecules and the Si(1 0 0) surface have been explored via ab initio total energy calculations. …”
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  16. 16
  17. 17

    Emulsion polymer handbook.

    Published 1974
    Book
  18. 18

    Silicon potentials investigated using density functional theory fitted neural networks by E. Sanville, Ajeevsing Bholoa, Roger Smith, Steven Kenny

    Published 2008
    “…We present a method for fitting neural networks to geometric and energetic data sets. …”
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  19. 19

    Insight into CO activation over Cu(100) under electrochemical conditions by Tian Sheng, Dong Wang, Wen-Feng Lin, Peijun Hu, Shi-Gang Sun

    Published 2016
    “…In this work, we examine two possible pathways in CO activation, i.e. to generate COHads and CHOads, respectively, by performing the state-of-the-art constrained ab initio molecular dynamics simulations on the charged Cu(100) electrode under aqueous conditions, which is close to the realistic electrochemical condition. …”
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  20. 20

    Modelling of fullerenes on silicon surfaces by David J. King

    Published 2008
    “…We have investigated the differences between the adsorption of the C60 and N@C60 molecules upon the Si (100) surface and found that there are only minimal differences. …”
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  21. 21

    Ab initio study of point defects in magnesium oxide by Christopher A. Gilbert, Steven Kenny, Roger Smith, E. Sanville

    Published 2007
    “…Energetics of a variety of point defects in MgO have been considered from an ab initio perspective using density functional theory. …”
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  22. 22

    Insights into the origin of high activity of Ni<sub>5</sub>P<sub>4</sub>(0001) for hydrogen evolution reaction by Yang Yang, Xiao Lin, Yang Li, Tian Sheng, Shaoan Cheng, Xiaoming Sun, Wen-Feng Lin

    Published 2023
    “…In this work, density functional theory (DFT) calculations were employed for a comprehensive investigation. The calculation results indicate that the Ni5P4(0001) surface exposing Ni3P4 termination gains the highest stability, on which a nearly thermoneutral hydrogen adsorption was found at the P3-hollow sites, providing a high activity for HER. …”
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