Quantum methods 6 Crystal structure 4 Density functional theory 4 Torsion angle 4 article 4 density functional theory 4 hydroxyl group 4 priority journal 4 quantum mechanics 4 unclassified drug 4 6 o benzyl 2 deoxy 2 dimethylmaleimido alpha dextro allopyranoside 2 Allosamine 2 Atomistic modeling 2 BFS method 2 Best choice 2 Bond distance 2 Carbohydrate Conformation 2 Carbohydrates 2 Carbonyl oxygen 2 Cellobiose 2 Ceramic capacitors 2 Complex carbohydrates 2 Complexation 2 Computer Simulation 2 Conformation 2 Conformations 2 Critical temperatures 2 Crystal geometry 2 Crystal structure data 2 Crystallography, X-Ray 2