B3LYP/6-311++G** geometry-optimization study of pentahydrates of α- and β-d-glucopyranose
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Biochemistry,General Medicine,Analytical Chemistry
Reference36 articles.
1. B3LYP/6-311++G** study of monohydrates of α- and β-d-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates
2. B3LYP/6-311++G** study of α- and β-d-glucopyranose and 1,5-anhydro-d-glucitol: 4C1 and 1C4 chairs, 3,OB and B3,O boats, and skew-boat conformations
3. The non-bonded interactions in D-glucose and β-maltose: an ab initio study of conformations produced by empirical force-field calculations
4. Ab Initio computed molecular structures and energies of the conformers of glucose
5. Quantum chemical conformational analysis of glucose in aqueous solution
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