𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Thermochemical Properties of Polycyclic Aromatic Hydrocarbons (PAH) from G3MP2B3 Calculations

✍ Scribed by Blanquart, Guillaume; Pitsch, Heinz


Book ID
126141801
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
371 KB
Volume
111
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Thermochemical properties of free radica
✍ R. Janoschek; M. J. Rossi 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB

## Abstract For a set of 32 selected free radicals, energy minimum structures, harmonic vibrational wave numbers ω~e~, principal moments of inertia __I__~__A__~, __I__~__B__~, and __I__~__C__~, heat capacities __C__°~p~(__T__), entropies __S__°(__T__), thermal energy contents __H__°(__T__) − __H__°

Thermochemical properties and phase beha
✍ Jinxia Fu; Eric M. Suuberg 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 252 KB

## Abstract Knowledge of vapor pressure of organic pollutants is essential in predicting their fate and transport in the environment. In the present study, the vapor pressures of 12 halogenated polycyclic aromatic compounds (PACs), 9‐chlorofluorene, 2,7‐dichlorofluorene, 2‐bromofluorene, 9‐bromoflu

Enthalpy of formation and bond energies
✍ Nadia Sebbar; Joseph W. Bozzelli; Henning Bockhorn 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 221 KB

## Abstract Enthalpies of unsaturated oxygenated hydrocarbons and radicals corresponding to the loss of hydrogen atoms from the parent molecules are intermediates and decomposition products in the oxidation and combustion of aromatic and polyaromatic species. Enthalpies (Δ~f~__H__^0^~298~) are calc

Thermochemical properties from G3MP2B3 c
✍ R. Janoschek; M. J. Rossi 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 231 KB

## Abstract After a set of 32 free radicals was presented (Int J Chem Kin 34, 550–560, 2002), an additional 60 free radicals (Set‐2) were studied and characterized by energy minimum structures, harmonic vibrational wave numbers ω~e~, moments of inertia __I~A~__, __I~B~__, and __I~C~__, heat capacit