Prediction of Accurate Anharmonic Experimental Vibrational Frequencies for Water Clusters, (H2O)n, n = 2−5
Author:
Affiliation:
1. Department of Chemistry, Hamilton College, 198 College Hill Road, Clinton, New York 13323
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp054958y
Reference104 articles.
1. Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6-31G* and MP2/6-31G* Harmonic Frequencies
2. Effect of electron correlation on theoretical vibrational frequencies
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