Self-Assembly and Intermolecular Forces When Cellulose and Water Interact Using Molecular Modeling

Table 2

Heat of formation and electronic properties of cellobiose unit and water molecule.

	Cellobiose unit	Water molecule
Heat of formation (kcal·mol^−1)	−487.66	−59.24
Electronic energy (eV)	−35393.3	−493.3
Core-core repulsion (eV)	30346.2	144.7
Total energy (eV)	−5047.1	−348.6
Ionization potential (eV)	10.5	12.5
Molecular weight (D)	326.30	18.015