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?
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Miguel Mart?nez Canales
Dto. F?sica de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnolog?a
Apdo. 644
48080 Bilbao (Spain)
Fax: +34 94 601 3500
Tlf: +34 94 601 5437
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