An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.476256
Reference24 articles.
1. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
2. Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
3. Assigning absolute values to proton affinities: a differentiation between competing scales
4. Evaluation of accurate gas-phase acidities
5. On the extent of spin contamination in open‐shell coupled‐cluster wave functions
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