Tags: tool:molst

All Categories (1-3 of 3)

  1. Which fileendings are compatible?

    Closed | Responses: 1


    I am looking forward to use your interesting tool. However, I was not able to use it with my molecules drawn on ACDhttp://nanohub.org/answers/question/961

  2. Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization.

    06 May 2009 | Contributor(s):: Baudilio Tejerina, George C. Schatz

    This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic clusters and the interaction of the clusters with molecules such as pyridine. The reactivity of the...

  3. Baudilio Tejerina

    Since November 2004, Baudilio Tejerina manages the computer facilities of the Theory Group in the Department of Chemistry at Northwestern University. After receiving his PhD in Physical Chemistry...