Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity-Reference-Cited by-同舟云学术

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Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

Published:2022-02-06 Issue:5 Volume:12 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Suresh Cherumuttathu H.¹²^ORCID,Remya Geetha S.¹²,Anjalikrishna Puthannur K.¹²

Affiliation:

1. Chemical Sciences and Technology Division CSIR‐National Institute for Interdisciplinary Science and Technology Thiruvananthapuram Kerala India

2. Academy of Scientific and Innovative Research (AcSIR) Ghaziabad India

Funder

University Grants Commission of Bangladesh

Council of Scientific and Industrial Research, India

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1601

Reference268 articles.

1. The Concept Of Electronegativity

2. The Influence of Electric Field on the Global and Local Reactivity Descriptors: Reactivity and Stability of Weakly Bonded Complexes

3. Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors

4. Revision of the dual substituent parameter treatment using the DFT-calculated reaction energies

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