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Literature DB >> 16218559

Sigma- and pi-electron delocalization: focus on substituent effects.

Tadeusz Marek Krygowski¹, Beata Tamara Stepień.

Abstract

Year: 2005 PMID： 16218559 DOI： 10.1021/cr030081s

Source DB: PubMed Journal: Chem Rev ISSN： 0009-2665 Impact factor: 60.622

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25 in total

1. Hydroxyl group as a substituent with varying electronic properties: effect of strength of H-bonding on charge density changes in Ph-OH…F⁻ complexes.

Authors: Halina Szatyłowicz; Tadeusz Marek Krygowski; Aneta Jezierska-Mazzarello
Journal: J Mol Model Date: 2010-04-11 Impact factor: 1.810

2. Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems.

Authors: Wojciech P Oziminski; Tadeusz M Krygowski
Journal: J Mol Model Date: 2010-05-30 Impact factor: 1.810

3. A new approach for aromaticity criterion based on electrostatic field gradient.

Authors: Ali Heydar Pakiari; Narges Bagheri
Journal: J Mol Model Date: 2010-12-14 Impact factor: 1.810

4. Interaction between alkaline earth cations and oxo-ligands. DFT study of the affinity of the Ca2+ cation for carbonyl ligands.

Authors: Leonardo Moreira da Costa; José Walkimar de Mesquita Carneiro; Gilberto Alves Romeiro; Lilian Weitzel Coelho Paes
Journal: J Mol Model Date: 2010-04-30 Impact factor: 1.810

5. Heme-thiolate ferryl of aromatic peroxygenase is basic and reactive.

Authors: Xiaoshi Wang; René Ullrich; Martin Hofrichter; John T Groves
Journal: Proc Natl Acad Sci U S A Date: 2015-03-10 Impact factor: 11.205

6. Most of the field/inductive substituent effect works through the bonds.

Authors: Halina Szatylowicz; Anna Jezuita; Krzysztof Ejsmont; Tadeusz M Krygowski
Journal: J Mol Model Date: 2019-11-19 Impact factor: 1.810

7. Interactions between alkaline earth cations and oxo ligands. DFT study of the affinity of the Mg²+ cation for phosphoryl ligands.

Authors: Leonardo Moreira da Costa; José Walkimar de Mesquita Carneiro; Lilian Weitzel Coelho Paes
Journal: J Mol Model Date: 2010-12-14 Impact factor: 1.810