[Pw_forum] Bond dissociation energy of CO (gas-phase)

Miguel Martínez Canales wmbmacam at lg.ehu.es
Thu Sep 7 16:50:20 CEST 2006

Hello everybody,

I have a small naive question with respect to the discrepancies Ameya is 
getting. Being C and O pretty light elements, and because the dissociation 
energies he is getting is always (except for BLYP) around 10-15 kcal/mol, 
¿could this be caused because he is neglecting the zero-point energy?

Miguel Martínez Canales
    Dto. Física de la Materia Condensada
    Facultad de Ciencia y Tecnología
    Apdo. 644
    48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437

   "If you're a mad scientist, you can use
   GPLv2'd software for your evil plans to
   take over the world"

Linus Torvalds

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