Infrared Spectroscopy of Liquid Solutions as a Benchmarking Tool of Semiempirical QM Methods: The Case of GFN2-xTB
Author:
Affiliation:
1. Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States
2. Department of Chemistry, Universidad Nacional de Colombia sede Bogotá, 111321 Bogotá, Colombia
Funder
Division of Chemistry
Universidad Nacional de Colombia
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/acs.jpcb.3c03174
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5. Levine, I. N.; Busch, D. H.; Shull, H. Quantum chemistry, 7th ed. Pearson Prentice Hall: Upper Saddle River, NJ, 2013; Vol. 6, p 720.
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