Unifying Conceptual Density Functional and Valence Bond Theory, The Hardness–Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes¶
Stuyver, T., & Shaik, S. (2020). Unifying Conceptual Density Functional and Valence Bond Theory, The Hardness–Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes. Journal of the American Chemical Society, 20002-20013.
Cited by¶
1 citation across 1 artifact.
Each citation links to the sentence it supports in the citing article.
Domain-specific¶
- Klopman–Salem Equation
- The computational source reports N as the preferred protonation site, but its VB energies are not numerical values of Fleming's orbital-mixing term, and this entry does not calculate a Klopman–Salem total or product ratio.
This sourceComputational VB analysis rather than numerical K–S evaluation.
- The computational source reports N as the preferred protonation site, but its VB energies are not numerical values of Fleming's orbital-mixing term, and this entry does not calculate a Klopman–Salem total or product ratio.
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Links previously used in the corpus¶
Before the registry existed this work was also linked 1 other way.
Registry ID ref:c8bd69b2efca · see in the full table