Path Integral Energy Landscapes for Water Clusters
Author:
Affiliation:
1. University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW, United Kingdom
Funder
Engineering and Physical Sciences Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00675
Reference75 articles.
1. Water Clusters
2. Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy
3. Towards an ab initio flexible potential for water, and post-harmonic quantum vibrational analysis of water clusters
4. Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters
5. The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2–21) and the phonon spectrum of ice Ih
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