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density functional theory
priority journal
quantum mechanics
Density functional theory
8
article
6
oxygen
6
unclassified drug
6
Conformation
4
Conformations
4
Crystal structure
4
Hydrogen Bonding
4
Models, Molecular
4
Quantum methods
4
Torsion angle
4
chemical structure
4
geometry
4
hydrogen bond
4
hydroxyl group
4
molecular dynamics
4
molecular mechanics
4
molecular model
4
thermodynamics
4
2,6 disulfate
2
3,6-Anhydrogalactose
2
4-o methyl alpha dextro galactopyranoside 6 sulfate
2
6 o benzyl 2 deoxy 2 dimethylmaleimido alpha dextro allopyranoside
2
Activation energy
2
Alkaline treatment
2
Allosamine
2
Amino Acid Substitution
2
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