Biomedical subjects
Publications and source records attributed to C B Gorman.
Several molecular structure-property relationships are presented and compared to illustrate our current understanding of macromolecular encapsulation using dendrimers. Specifically, the effect that dendrimer architectures have on encapsulating photoactive and redox-active units fixed at the molecular core is considered.
A computational method was devised to explore the relationship of charge separation, geometry, molecular dipole moment (mu), polarizability (alpha), and hyperpolariz-abilities (beta, gamma) in conjugated organic molecules. We show that bond-length alternation (the average difference in length between single and double bonds in the molecule) is a key structurally observable parameter that can be correlated with hyperpolarizabilities and is thus relevant to the optimization of molecules and materials. By using this method, the relationship of bond-length alternation, mu, alpha, beta, and gamma for linear conjugated molecules is illustrated, and those molecules with maximized alpha, beta, and gamma are described.