Do you have some molecules you'd like to have some calculations on? I've got three research students with me this summer who I know would love to help! We mostly use density functional theory to calculate things like geometry, transition states, reaction energies, molecular orbitals, etc. If you have an inorganic (no more than 2 metals) system (or even an organic one) you'd like calculated, let me know!
June 17, 2010 - 8:23am#1