Quantification and origin of cooperativity: insights from density functional reactivity theory-Reference-Cited by-同舟云学术

Quantification and origin of cooperativity: insights from density functional reactivity theory

Author:

Rong Chunying¹²³⁴,Zhao Dongbo⁵⁶⁷⁴,Yu Donghai¹²³⁴^ORCID,Liu Shubin⁸⁹¹⁰¹¹^ORCID

Affiliation:

1. College of Chemistry and Chemical Engineering

2. Hunan Normal University

3. Changsha Hunan 410081

4. P. R. China

5. School of Chemistry and Chemical Engineering

6. Nanjing University

7. Nanjing 210093

8. Research Computing Center

9. University of North Carolina

10. Chapel Hill

11. USA

Abstract

This work presents an approach to quantify cooperativity and appreciate its origin, whose effectiveness has been showcased by six examples.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hunan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference72 articles.

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