“One-into-Many” Model: An Approach on DFT Based Reactivity Descriptor to Predict the Regioselectivity of Large Systems
Author:
Affiliation:
1. Department of Chemistry, Birla Institute of Technology and Science, Pilani-330 331, Rajasthan, India
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp070417s
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