L5-MO2 - Molecular Orbitals ­part II ? Reminder:...

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Unformatted text preview: Molecular Orbitals ­part II ? Reminder: Energy Conversion Factors •  1 kcal/mol = –  0.04336 eV –  0.00159 ha –  349.75 cm ­1 –  6.948e ­14 erg –  4.184 kJ/mol •  1 eV = –  23.06 kcal/mol –  0.03675 h –  8065.6 cm ­1 –  1.602e ­12 erg •  1 ha = 2 Ry –  627.51 kcal/mol –  27.212 eV –  219,474.6 cm ­1 –  4.36e ­11 erg 2 Ry •  1 erg = –  1.439e13 kcal/mol –  6.2415e11 eV –  2.2937e10 ha –  5.034e15 cm ­1 ? Diatomic molecules: bonding properMes Summary •  Compare with 110A lecture on HF methods Photoelectron spectra and molecular orbitals Example: the nitrogen dimer A.Baker, 1970 ...
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This note was uploaded on 04/04/2011 for the course CHE 110B taught by Professor Galli during the Winter '11 term at UC Davis.

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