This work consists of two closely related parts: theory development and coding of correlation effects in a model solvation potential and study of solvent effects on chemical reaction. The effective fragment potential-EFP method has been re-parameterized, using density functional theory-DFT. The DFT based EFP method includes short-range correlation. The new method has been implemented in the electronic structure code GAMESS.Formulas for the dynamic dipole polarizability, C6 dispersion coefficient and dispersion energy were derived and coded as a part of a treatment of the dispersion...

Mark Gordon reflects on his journey into the Catholic Church and the unexpected graces that followed. Mixing personal stories with apologetics, poetry, selections from the writings of the saints, conciliar and papal documents, and historical fiction, Gordon's spiritual memoir presents Catholic belief and culture through the lens of forty signal blessings, including "The Little Lady With Lupus," "Jorge's Lesson of Love," "The Bobble-Headed Priest," and "A Busy Day."