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nf: Structure not characterized as minimum or transition state at this computational level. ns: Structure not studied at this
Molecular Mechanical Models for Organic and Biological Systems Going beyond the Atom Centered Two Body Additive Approximation: Aqueous Solution Free Energies of Methanol and
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(CH3)3C—C' Rotational Barriers in Pivalaldehyde (in kcal mol-1).. n -Butanal ( cis/trans
The C–C X-ray bond lengths have a correction of +0.002 Å for thermal motions. Space group
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