| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394596 | Computational and Theoretical Chemistry | 2012 | 12 Pages |
Abstract
⺠Organosulfur hypohomodesmotic reactions proposed. ⺠Reaction schemes used to calculate organosulfur compound enthalpies of formation. ⺠Single point calculations and composite methods investigated with reaction schemes. ⺠Hypohomodesmotic reactions eliminate differential correlation and size extensivity. ⺠Hypohomodesmotic reactions allow for chemically accurate enthalpies of formation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Kameron R. Jorgensen, Angela K. Wilson,