An ab initio study of three (ethane-1,2 diol/water) complexes
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference17 articles.
1. Theoretical calculations on 1,2-ethanediol. Gauche-trans equilibrium in gas-phase and aqueous solution
2. Theoretical calculations on 1,2-ethanediol. 2. Equilibrium of the gauche conformers with and without an intramolecular hydrogen bond in aqueous solution
3. Force field parameters for carbohydrates
4. Conformational properties of ethanediol in aqueous solution as described by the continuous model of the solvent
5. Quantum Chemical Conformational Analysis of 1,2-Ethanediol: Correlation and Solvation Effects on the Tendency To Form Internal Hydrogen Bonds in the Gas Phase and in Aqueous Solution
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1. Hydrogen bonds in ethylene glycol, monoethanolamine, and ethylenediamine complexes with water;Russian Journal of Physical Chemistry A;2017-02
2. Solvent-Modulated Influence of Intramolecular Hydrogen-Bonding on the Conformational Properties of the Hydroxymethyl Group in Glucose and Galactose: A Molecular Dynamics Simulation Study;Helvetica Chimica Acta;2016-12-12
3. A molecular dynamics simulations study on ethylene glycol-water mixtures in mesoporous silica;The Journal of Chemical Physics;2016-09-14
4. The role of nonbonding interactions and the presence of fluoride on the conformational isomerism of 1,2-ethanediol;Chemical Physics;2016-07
5. Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of1H NMR chemical shifts;Magnetic Resonance in Chemistry;2016-05-31
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