Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model-Reference-Cited by-同舟云学术

Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model

Published:2023-09-13 Issue:19 Volume:19 Page:6805-6815
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Herman Kristina M.¹^ORCID,Stone Anthony J.²^ORCID,Xantheas Sotiris S.¹³^ORCID

Affiliation:

1. Department of Chemistry, University of Washington, Seattle, Washington 98185, United States

2. Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, U.K.

3. Advanced Computing Mathematics and Data Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MSIN J7-10, Richland, Washington 99352, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00575

Reference70 articles.

1. Water Molecule Interactions

2. Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions

3. Significance of higher-order many-body interaction energy terms in water clusters and bulk water

4. Cooperativity and hydrogen bonding network in water clusters

5. The Many-Body Expansion for Aqueous Systems Revisited: I. Water–Water Interactions

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