Theoretical calculation of enthalpy of formation of multiconformational molecules: 1,2-ethanediol, propanediols, and glycerol
Author:
Funder
Russian Foundation for Basic Research
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference23 articles.
1. Assessment of Gaussian-3 and density functional theories for enthalpies of formation of C1–C16 alkanes;Redfern;J. Phys. Chem. A,2000
2. Computational methods in organic chemistry. 3. Correction of computed enthalpies for multiple conformations;Bond;J. Phys. Chem. A,2008
3. The enthalpy of formation of methionine revisited;Roux;J. Phys. Org. Chem.,2012
4. Heats of formation of the amino acids re-examined by means of W1–F12 and W2–F12 theories;Karton;Theor. Chem. Acc.,2014
5. Gas-phase enthalpies of formation and enthalpies of sublimation of amino acids based on isodesmic reaction calculations;Dorofeeva;J. Phys. Chem. A,2014
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