High-Level Ab Initio Electronic Structure Calculations of Water Clusters (H2O)16 and (H2O)17: A New Global Minimum for (H2O)16-Reference-Cited by-同舟云学术

High-Level Ab Initio Electronic Structure Calculations of Water Clusters (H2O)16 and (H2O)17: A New Global Minimum for (H2O)16

Published:2010-10-12 Issue:20 Volume:1 Page:3122-3127
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Yoo Soohaeng¹,Aprà Edoardo²,Zeng Xiao Cheng³,Xantheas Sotiris S.¹

Affiliation:

1. Chemical & Materials Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, MS K1-83, Richland, Washington 99352, United States

2. Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

3. Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, United States

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz101245s

Reference60 articles.

1. Theoretical study of small water clusters: low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20

2. Chemical bonding in water clusters

3. Pivot method for global optimization: a study of water clusters (H2O)N with 2⩽N⩽33

4. Ice nanotube: What does the unit cell look like?

5. Ice nanotube: What does the unit cell look like?

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