Local Descriptors around a Transition State: A Link between Chemical Bonding and Reactivity
Author:
Affiliation:
1. Department of Chemistry, Indian Institute of Technology, Kharagpur 721302, India
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp051118a
Reference11 articles.
1. Bond order rearrangements during chemical reactions
2. Bond orders from ab initio calculations and a test of the principle of bond order conservation
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4. Hardness and bond index profiles of hydrogen-bonded complexes with single-minimum and double-minimum potentials
5. Density functional approach to the frontier-electron theory of chemical reactivity
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