Purdue Chemical Engineering Article Highlighted on Journal of Chemical Theory and Computation Cover
| Event Date: | February 9, 2010 |
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An article co-authored by a Purdue ChE graduate student and two professors was highlighted on the Journal of Chemical Theory and Computation cover.
An article co-authored by Purdue ChE Graduate Student Jiannang Dong and Professors David Corti and Elias Franses was highlighted on the Journal of Chemical Theory and Computation cover. The article titled “Computation of Nonretarded London Dispersion Coefficients and Hamaker Constants of Copper Phthalocyanine” describes a semi-empirical model based on time-dependent density functional theory that has been developed to calculate the non-retarded Hamaker constants A12, which can be utilized to describe a wide variety of applications, such as colloidal stability, protein folding and pigment dispersions.
To view the article, follow this link:
http://pubs.acs.org/doi/abs/10.1021/ct900431a.