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Literature DB >> 16164330

The maximum hardness principle implies the hard/soft acid/base rule.

Pratim K Chattaraj, Paul W Ayers.

Abstract

Entities: Disease

Year: 2005 PMID： 16164330 DOI： 10.1063/1.2011395

Source DB: PubMed Journal: J Chem Phys ISSN： 0021-9606 Impact factor: 3.488

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10 in total

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2. An Occam's razor approach to chemical hardness: lex parsimoniae.

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3. Introducing "UCA-FUKUI" software: reactivity-index calculations.

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4. Donation and back-donation analyzed through a charge transfer model based on density functional theory.

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Journal: J Mol Model Date: 2017-06-20 Impact factor: 1.810

5. Local electrophilicity.

Authors: Andrés Robles; Marco Franco-Pérez; José L Gázquez; Carlos Cárdenas; Patricio Fuentealba
Journal: J Mol Model Date: 2018-08-20 Impact factor: 1.810

6. Global and local charge transfer in electron donor-acceptor complexes.

Authors: Ulises Orozco-Valencia; José L Gázquez; Alberto Vela
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7. Introducing a new bond reactivity index: Philicities for natural bond orbitals.

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Journal: J Mol Model Date: 2017-12-22 Impact factor: 1.810

8. Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents.

Authors: Ramón Alain Miranda-Quintana; Farnaz Heidar-Zadeh; Stijn Fias; Allison E A Chapman; Shubin Liu; Christophe Morell; Tatiana Gómez; Carlos Cárdenas; Paul W Ayers
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Review 9. Conceptual density functional theory based electronic structure principles.

Authors: Debdutta Chakraborty; Pratim Kumar Chattaraj
Journal: Chem Sci Date: 2021-03-31 Impact factor: 9.825

10. Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles.

10 in total