Strain or electronic effects? MP2 and DFT aromaticity investigation in small ring annulated benzene-Reference-Cited by-同舟云学术

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Strain or electronic effects? MP2 and DFT aromaticity investigation in small ring annulated benzene

Published:2017-01 Issue: Volume:1099 Page:102-108
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Molavian Mohammad Reza,Abdolmaleki Amir,Eskandari Kiamars

Funder

Research Affairs Division Isfahan University of Technology

National Elite Foundation

scientific and technological department of the presidential office

Isfahan University of Technology

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference26 articles.

1. All-metal aromaticity and antiaromaticity;Boldyrev;Chem. Rev.,2005

2. Aromaticity of distorted benzene rings: exploring the validity of different indicators of aromaticity;Feixas;J. Phys. Chem. A,2007

3. Aromaticity of overcrowded nitroanilines;Majerz;J. Phys. Chem. A,2012

4. On the harmonic oscillator model of electron delocalization (HOMED) index and its application to heteroatomic π-electron systems;Raczyńska;Symmetry,2010

5. Nucleus-independent chemical shift (NICS) profiles in a series of monocyclic planar inorganic compounds;Jiménez-Halla;J. Organometal. Chem.,2006

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