Which reaction occurs at the anode of a lead storage

C127 Lecture 6 Notes- Computational Chemistry 2-18-16  Midterm exam- covers first 4 experiments (calorimetry, soap, separation, density/data)  Learning Objectives o Investigate how computer calculations can enhance understanding of molecular shapes o Use computer calculations to find lowest energy conformations of molecules o Use calculations to determine dipole moments and charge distribution in a molecule o See how modeling software can be used to visualize interaction between biologically relevant macromolecules  Spartan 14- gives molecular geometry of molecules o Has many calculation modules to find lowest energy configuration based on bond lengths and strengths  Molecular mechanics- treats bonds like “springs”; least accurate/most varying result  Semi-empirical- takes into account more aspects/interactions of molecule; hybrid type of calculation that takes more time but gives better accuracy  Hartree-Fock- models molecular orbitals; most sophisticated/accurate of these options