Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms-Reference-Cited by-同舟云学术

Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms

Published:2014 Issue:23 Volume:16 Page:11310-11317
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Iwata Suehiro¹²³⁴

Affiliation:

1. Department of Chemistry

2. Faculty of Science and Technology

3. Keio University

4. Yokohama 223-8522, Japan

Abstract

The relationship of the charge-transfer and dispersion terms with the O–O length for every pair of hydrogen bonded water molecules in the isomers of (H₂O)₁₇–(H₂O)₂₁.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01204F

Reference28 articles.

1. S. Yoo and S. S.Xantheas , in Handbook of Computational Chemistry , ed. J. Leszczynski , Springer , 2012 , ch. Structures, Energetics, and Spectroscopic Fingerprints of Water Clusters n = 2–24, pp. 761–792

2. The spectroscopic signature of the “all-surface” to “internally solvated” structural transition in water clusters in the n=17–21 size regime

3. Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring

4. Graph Theoretical Generation and Analysis of Hydrogen-Bonded Structures with Applications to the Neutral and Protonated Water Cube and Dodecahedral Clusters

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