College of Charleston

News C of C Professor Makes Cover of Chemistry Journal February 24, 2000 Cover of the February 2000 issue of Accounts of Chemical Research. Professor Kristin D. Krantzman of the College of Charleston Department of Chemistry and Biochemistry was the co-author of a paper that was featured as the cover article in the February 15, 2000 issue of Accounts of Chemical Research, a monthly publication of the American Chemical Society. The title of the article is "Molecule Liftoff from Surfaces". Coa-authors are Barbara J. Garrison and Arnaud Delcorte of Penn State University. Dr. Krantzman and Dr. Garrison have an on-going collaboration of the theoretical, computational chemistry of surfaces. Molecular dynamics simulations have been used to model the kiloelectronvolt particle bombardment of organic layers on metal substrates such as occurs in the analytical techniques of secondary ion mass spectrometry and fast atom bombardment mass spec-trometry. Vignettes of insights gained from the simulations along with comparisons to experimental data are presented in this Account. Topics include intact molecular ejection vs fragmentation, prediction of reaction pathways, influence of the substrate, and quantitative predictions of energy and angular distributions.