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Unformatted text preview: TE=-0.789668017 au = -2,072.878545 kJ/mol Results Tables: The Covalent Bond Name___________________________ Table 2. H 2 + , H 2 , & H 2 * Comparison Species & Equilibrium Bond Length HOMO (red &/or blue plots) & HOMO Energy LUMO (red &/or blue plots) & LUMO Energy Density Potential (rainbow plots) & Total Energy H 2 + 1.055 -29.52 eV-7.94 eV-0.583151078 au H 2 0.735 -16.17 eV 7.23 eV-1.12295984 au H 2 * 3.685 -13.41 eV 28.58 eV-0.992380406 au Results Tables: The Covalent Bond Name___________________________...
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This note was uploaded on 04/07/2008 for the course CHEM 1LB taught by Professor Edwards during the Winter '08 term at UC Irvine.
- Winter '08