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Heats of Formation of Mercury Dimethyl, Diethyl and Diphenyl and some Associated Bond Dissociation Energies

✍ Scribed by CARSON, A. S.; CARSON, E. M.; WILMSHURST, B.


Book ID
109571150
Publisher
Nature Publishing Group
Year
1952
Tongue
English
Weight
213 KB
Volume
170
Category
Article
ISSN
0028-0836

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## 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