New thermochemical reference system expressing the relative energy of organic compounds
✍ Scribed by Árpád Furka; Ildikó Czimer
- Book ID
- 104884582
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 426 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1040-0400
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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v
The relative free energy difference (AAGhyd) for the reversible addition of water to two unsaturated molecules is accurately computed using a combination of ab initio quantum mechanical calculations and free energy perturbation methods. Initial attempts to calculate the absolute hydration free energ