Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation-Reference-Cited by-同舟云学术

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Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation

Published:2017-10-07 Issue:13 Volume:147 Page:134303
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Zhou Pan-Pan¹²,Liu Shubin³^ORCID,Ayers Paul W.⁴^ORCID,Zhang Rui-Qin¹⁵^ORCID

Affiliation:

1. Beijing Computational Science Research Center, Beijing 100084, People’s Republic of China

2. Department of Chemistry, Lanzhou University, Lanzhou 730000, People’s Republic of China

3. Research Computing Center, University of North Carolina, Chapel Hill, North Carolina 27599, USA

4. Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1, Canada

5. Department of Physics, City University of Hong Kong, Hong Kong SAR, People’s Republic of China

Funder

National Natural Science Foundation of China (NSFC)

Environment and Conservation Fund (ECF)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5004406

Reference53 articles.

1. Understanding the Woodward–Hoffmann Rules by Using Changes in Electron Density

2. Conceptual Density Functional Theory and Some Recent Developments

3. Chemical Reactivity Theory

4. Conservation of orbital symmetry

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