Unifying Conceptual Density Functional and Valence Bond Theory: The Hardness–Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes.

Detalles Bibliográficos
Publicado en:Journal of the American Chemical Society Vol. 142; no. 47; pp. 20002 - 20014
Autores principales: Stuyver, Thijs, Shaik, Sason
Formato: Artículo
Publicado: American Chemical Society 11/25/2020
Acceso en línea:Ver este registro en EBSCOhost
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        atl: Unifying Conceptual Density Functional and Valence Bond Theory: The Hardness–Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes.
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          Stuyver, Thijs
          Shaik, Sason
        affil: Institute of Chemistry, Edmond J. Safara Campus at Givat Ram, 26742The Hebrew University, Jerusalem 9190401, Israel
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      pubtype: Academic Journal
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