𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Experimental Methods for Measurement of Bond Dissociation Energies and Heats of Formation of Radicals

✍ Scribed by Szwarc, M.


Book ID
120146888
Publisher
The Royal Society
Year
1951
Tongue
English
Weight
492 KB
Volume
207
Category
Article
ISSN
0962-8444

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Quantum monte carlo study of heats of fo
✍ A. C. Kollias; D. Domin; G. Hill; M. Frenklach; D. M. Golden; W. A. Lester Jr. πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 125 KB

## Abstract A quantum Monte Carlo (QMC) benchmark study of heats of formation at 298 K and bond dissociation energies (BDEs) of 22 small hydrocarbons is reported. Diffusion Monte Carlo (DMC) results, obtained using a simple product trial wavefunctions consisting of a single determinant and correlat