Duncan, Alexander Hamish2018-08-202018-08-202004b2245761http://hdl.handle.net/1885/146536xvi, 193 leavesen-AUQD461.D85 2004Molecular structureMolecular dynamicsChemical reaction, Conditions and laws ofScalable iterative potential energy surface : construction using constraints200410.25911/5d65101bcd7362018-08-17