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MATRIX WITH THE DISCRETE VALUES FOR EACH ROTATION ANGLE AND ITS CORRESPONDING ENERGY VALUE FOR THE FIRST ROTATION FOR BASIC STRUCTURE. Labels in bold were not used in
The Chemistry of the Carbon-Carbon Triple Bond; John Wiley & Sons: New York, 1978; Vol... CODATA Key Values for
Molecular Mechanical Models for Organic and Biological Systems Going beyond the Atom Centered Two Body Additive Approximation: Aqueous Solution Free Energies of Methanol and
Supplementary Material.
(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
WORD file created for revised manuscript submitted to J... CHARMM parameters for 3-formyl-2,2,5,5-tetramethyl-1-oxypyrroline Developed by
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