Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24-Reference-Cited by-同舟云学术

Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n = 8, 20 and 24

Published:2016 Issue:29 Volume:18 Page:19746-19756
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Iwata Suehiro¹²³⁴⁵,Akase Dai⁶⁷⁸⁵,Aida Misako⁶⁷⁸⁵,Xantheas Sotiris S.⁹¹⁰¹¹¹²

Affiliation:

1. Department of Chemistry

2. Faculty of Science and Technology

3. Keio University

4. Yokohama 223-8522

5. Japan

6. Graduate School of Science

7. Hiroshima University

8. Higashi Hiroshima

9. Physical Sciences Division

10. Pacific Northwestern National Laboratory

11. Richland

12. USA

Abstract

Comparison of the sum of the characteristic factors for some of the typical hydrogen donor and acceptor pairs with the CT term/kJ mol⁻¹ (the upper value) and the O⋯O distance/in cubic (H₂O)₈.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02487D

Reference52 articles.

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

2. Computer simulations of cesium–water clusters: Do ion–water clusters form gas‐phase clathrates?

3. Influence of water molecules arrangement on structure and stability of 512 and 51262 buckyball water clusters. A theoretical study

4. Graph theoretical analysis of water clusters

5. On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice

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