𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On Calculating a Polymer's Enthalpy of Formation with Quantum Chemical Methods

✍ Scribed by Brothers, Edward N.; Izmaylov, Artur F.; Rusakov, Alexander A.; Scuseria, Gustavo E.

Book ID
121194905
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
46 KB
Volume
111
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Evaluation of a Combined Quantum Chemica
Evaluation of a Combined Quantum Chemical Method Used in Calculating OH Bond Dissociation Enthalpy
✍ You-Min Sun; Hong-Yu Zhang; De-Zhan Chen πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 355 KB

## Abstract Oο£ΏH bond dissociation enthalpies (BDE) for a variety of substituted phenols were calculated using a combined quantum chemical method. It is found that the calculated Oο£ΏH BDE correlated well with the recommended values, except for __ortho‐tert‐__butyl substituted phenols. For the electro