Effects of Zero-Point Delocalization on the Vibrational Frequencies of Mixed HCl and Water Clusters
Author:
Affiliation:
1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jz500970h
Reference65 articles.
1. Communication: A new ab initio potential energy surface for HCl–H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction
2. Ab initio study of (H2O)1,2·HCl: accurate energetic and frequency shift of HCl
3. Rotational Spectra of the Less Common Isotopomers, Electric Dipole Moment and the Double Minimum Inversion Potential of H2O···HCl
4. Observation of Rovibrational Transitions of HCl, (HCl)2, and H2O−HCl in Liquid Helium Nanodroplets
5. Infrared cavity ringdown spectroscopy of acid–water clusters: HCl–H2O, DCl–D2O, and DCl–(D2O)2
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