| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394489 | Computational and Theoretical Chemistry | 2012 | 14 Pages |
Abstract
⺠DFT study of cello-oligomers in implicit solvent (DP-3 to DP-8, and DP-10). ⺠Hydration energy is a function of number of residues. ⺠Twist in conformations with length creates structures with significant tertiary structure. ⺠Twist in conformations depends on the hydroxymethyl conformers. ⺠Dispersion does not impact the ordering of the relative energies of the fragments.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Udo Schnupf, Frank A. Momany,