Literature DB >> 11493087

On the validity of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations.

M Torrent-Sucarrat1, J M Luis, M Duran, M Solà.   

Abstract

Entities:  

Year:  2001        PMID： 11493087     DOI： 10.1021/ja015737i

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  10 in total

1.  Density functional theory characterisation of 4-hydroxyazobenzene.

Authors:  Benoit Minisini; Guillaume Fayet; François Tsobnang; Jean François Bardeau
Journal:  J Mol Model       Date:  2007-10-05       Impact factor: 1.810

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

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2018-11-06       Impact factor: 1.810

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

Authors:  Jesús Sánchez-Márquez; David Zorrilla; Antonio Sánchez-Coronilla; Desireé M de los Santos; Javier Navas; Concha Fernández-Lorenzo; Rodrigo Alcántara; Joaquín Martín-Calleja
Journal:  J Mol Model       Date:  2014-10-23       Impact factor: 1.810

4.  Electronegativity-a perspective.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2018-07-23       Impact factor: 1.810

5.  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

6.  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

7.  Density functional theory calculations on azobenzene derivatives: a comparative study of functional group effect.

Authors:  Irina Piyanzina; Benoit Minisini; Dmitrii Tayurskii; Jean-François Bardeau
Journal:  J Mol Model       Date:  2015-02-03       Impact factor: 1.810

8.  Electronic properties of some nitrobenzo[a]pyrene isomers: a possible relationship to mutagenic activity.

Authors:  Vito Librando; Andrea Alparone; Gaetano Tomaselli
Journal:  J Mol Model       Date:  2008-04-26       Impact factor: 1.810

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.

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
Journal:  Front Chem       Date:  2022-07-22       Impact factor: 5.545
  10 in total

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