ch 1. First principles DFT studies of metal-based biological and biomimetic systems / Arturo Robertazzi ... [et al.] -- ch. 2. Structural and thermodynamic studies of a-Synuclein proteins related to Parkinson's Disease : impact of aqueous solution and Fe3+ coordination / Olivia M. Wise, Liang Xu, and Orkid Coskuner -- ch. 3. Carbohydrate and trivalent iron ion interactions in the gas phase and in aqueous solution / Orkid Coskuner and Carlos A. Gonzl̀ez -- ch. 4. Aqueous solutions of metal ions / Orkid Coskuner and Thomas C. Allison -- ch. 5. Structure of liquid metal surfaces : a first principles perspective / Brent Walker, Nicola Marzari, and Carla Molteni -- ch. 6. Some practical considerations for density functional theory studies of chemistry at metal surfaces / Rudolph J. Magyar, Ann E. Mattsson, and Peter A. Schultz -- ch. 7. Computational investigations of metal oxide surfaces / Emily A.A. Jarvis and Cynthia S. Lo -- ch. 8. Tight binding methods for metallic systems / Luis Rincn̤, Thoomas C. Allison, and Carlos A Gonzl̀ez -- ch. 9. Density functional calculations of metal clusters : structure, dynamics, and reactivity / Dennis R. Salahub ... [et al.] -- ch. 10. Density functional theory calculations on cobalt and platinum transition metal clusters / Ali Sebetci -- ch. 11. Exploring the borderland between physics and chemistry : theoretical methods in the study of atomic clusters / Yamil Simn̤-Manso, Carlos A. Gonzl̀ez, and Patricio Fuentealba.