Literature DB >> 21306180

Update 2 of: electrophilicity index.

Pratim Kumar Chattaraj1, Santanab Giri, Soma Duley.   

Abstract

Year:  2011        PMID： 21306180     DOI： 10.1021/cr100149p

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


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  22 in total

1.  On the intrinsic reactivity index for electrophilicity/nucleophilicity responses.

Authors:  Eduardo Chamorro; Junia Melin
Journal:  J Mol Model       Date:  2015-02-21       Impact factor: 1.810

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

Authors:  Ulises Orozco-Valencia; José L Gázquez; Alberto Vela
Journal:  J Mol Model       Date:  2017-06-20       Impact factor: 1.810

3.  Chemical descriptors for describing physico-chemical properties with applications to geosciences.

Authors:  Jean-Louis Vigneresse; Laurent Truche
Journal:  J Mol Model       Date:  2018-08-11       Impact factor: 1.810

4.  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

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

Authors:  Ulises Orozco-Valencia; José L Gázquez; Alberto Vela
Journal:  J Mol Model       Date:  2018-08-23       Impact factor: 1.810

6.  Local and nonlocal counterparts of global descriptors: the cases of chemical softness and hardness.

Authors:  Marco Franco-Pérez; Carlos A Polanco-Ramírez; José L Gázquez; Paul W Ayers
Journal:  J Mol Model       Date:  2018-09-20       Impact factor: 1.810

7.  A DFT study on the mechanisms for the cycloaddition reactions between 1-aza-2-azoniaallene cations and acetylenes.

Authors:  Jing-mei Wang; Zhi-ming Li; Quan-rui Wang; Feng-gang Tao
Journal:  J Mol Model       Date:  2012-07-19       Impact factor: 1.810

8.  Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li.

Authors:  Hélène Gérard; Patrick Chaquin; Jacques Maddaluno
Journal:  J Mol Model       Date:  2020-02-13       Impact factor: 1.810

9.  Theoretical analysis of the binding of iron(III) protoporphyrin IX to 4-methoxyacetophenone thiosemicarbazone via DFT-D3, MEP, QTAIM, NCI, ELF, and LOL studies.

Authors:  Nyiang Kennet Nkungli; Julius Numbonui Ghogomu
Journal:  J Mol Model       Date:  2017-06-09       Impact factor: 1.810

10.  Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach.

Authors:  Navjot Kaur; Shuchi Gupta; Neetu Goel
Journal:  J Mol Model       Date:  2019-10-09       Impact factor: 1.810
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