Chemistry with ADF

Also Consider

Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context:

1. 1A Reassessment of the First Metal-Carbonyl Dissociation Energy in M(CO)4 (M = Ni, Pd, Pt), M(CO)5 (M = Fe, Ru, Os), and M(CO)6 (M = Cr, Mo, W) by a Quasirelativistic Density Functional Method1995 · 442 citations
2. 2Threshold Energies and Unimolecular Rate Constants for Elimination of HF from Chemically Activated CF3CH2CH3 and CF3CH2CF3: Effect of CH3 and CF3 Substituents at the β-Carbon and Implications about the Transition State1998 · 12 citations
3. 3Self-Consistent Equations Including Exchange and Correlation Effects1965 · 64,438 citations
4. 4Application of density functional theory to infrared absorption intensity calculations on transition-metal carbonyls1992 · 223 citations