Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of Mississippi, University, Mississippi 38677-1848 United States
Funder
Division of Chemistry
Office of Experimental Program to Stimulate Competitive Research
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct500860v
Reference114 articles.
1. Molecular‐Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O
2. Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer
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