Comprehensive Benchmark Results for the Accuracy of Basis Sets for Anharmonic Molecular Vibrations
Author:
Affiliation:
1. Department of Chemistry and Chemical Sciences, Central University of Jammu, Rahya-Suchani (Bagla), Jammu, Jammu and Kashmir 181143, India
Funder
Science and Engineering Research Board
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c06634
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4. Conformational Structures of a Decapeptide Validated by First Principles Calculations and Cold Ion Spectroscopy
5. Vibrational Spectra of α-Glucose, β-Glucose, and Sucrose: Anharmonic Calculations and Experiment
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