B3LYP/6-311++G** study of monohydrates of α- and β-d-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates
- 25 February 2004
- journal article
- Published by Elsevier in Carbohydrate Research
- Vol. 339 (3) , 553-567
- https://doi.org/10.1016/j.carres.2003.10.013
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Lifetime of a Hydrogen Bond in Aqueous Solutions of CarbohydratesThe Journal of Physical Chemistry A, 1999
- Molecular dynamics simulations of glycosides in aqueous solutionCarbohydrate Research, 1996
- Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell EffectsThe Journal of Physical Chemistry, 1996
- Carbohydrates: United Atom AMBER* Parameterization of Pyranoses and Simulations Yielding Anomeric Free EnergiesJournal of the American Chemical Society, 1996
- The Anomeric Equilibrium in d-Xylose: Free Energy and the Role of Solvent StructuringJournal of the American Chemical Society, 1996
- Molecular dynamics study of conformational and anomeric equilibria in aqueous D-glucoseThe Journal of Physical Chemistry, 1993
- Stereochemical aspects of hydration of carbohydrates in aqueous solutions. 2. Kinetic medium effectsThe Journal of Organic Chemistry, 1992
- Stereochemical aspects of hydration of carbohydrates in aqueous solutions. 3. Density and ultrasound measurementsThe Journal of Physical Chemistry, 1991
- Hydration numbers by near-infrared spectrophotometry. 2. SugarsThe Journal of Physical Chemistry, 1983
- THE INTRINSIC VISCOSITIES OF AQUEOUS SOLUTIONS OF SMALL MOLECULESCanadian Journal of Chemistry, 1957