Local Temperature as a Chemical Reactivity Descriptor-Reference-Cited by-同舟云学术

Local Temperature as a Chemical Reactivity Descriptor

Published:2021-06-10 Issue:23 Volume:12 Page:5623-5630
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Guo Chunna¹,He Xin¹,Rong Chunying¹,Lu Tian²^ORCID,Liu Shubin³⁴^ORCID,Chattaraj Pratim Kumar⁵^ORCID

Affiliation:

1. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), Hunan Normal University, Changsha, Hunan 410081, China

2. Beijing Kein Research Center for Natural Sciences, Beijing 100022, China

3. Research Computing Center, University of North Carolina, Chapel Hill, North Carolina 27599-3420, United States

4. Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599-3290, United States

5. Department of Chemistry, Indian Institute of Technology, Kharagpur 721302, India

Funder

National Natural Science Foundation of China

DST, New Delhi, India

Hunan Provincial Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c01207

Reference75 articles.

1. Chemical Reactivity Theory: A Density Functional View

2. Computational Study of Chemical Reactivity Using Information-Theoretic Quantities from Density Functional Reactivity Theory for Electrophilic Aromatic Substitution Reactions

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