| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395109 | Computational and Theoretical Chemistry | 2011 | 17 Pages |
Abstract
⺠Gas phase adiabatic ionization energies and enthalpies of formation were calculated. ⺠Calculations at Gaussian-4 level of theory for 319 and 398 main group compounds. ⺠Compounds contain elements hydrogen through bromine. ⺠Good agreement with experimental data was obtained. ⺠Study provides benchmark set of theoretical data.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Sierra Rayne, Kaya Forest,