Structures, relative stability and binding energies of neutral water clusters, (H2O)2

Structures, relative stability and binding energies of neutral water clusters, (H2O)2–30

Published:2019 Issue:33 Volume:43 Page:13020-13037
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Malloum Alhadji¹²³⁴⁵^ORCID,Fifen Jean Jules¹²³⁴⁵^ORCID,Dhaouadi Zoubeida⁶⁷⁸⁹¹⁰,Nana Engo Serge Guy¹²³⁴⁵,Conradie Jeanet¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Department of Physics

2. Faculty of Science

3. University of Ngaoundere

4. Ngaoundere

5. Cameroon

6. Laboratoire de Spectroscopie Atomique Moléculaire et Applications

7. Faculté des Sciences de Tunis

8. Université de Tunis El Manar

9. Tunis

10. Tunisia

11. Department of Chemistry

12. University of the Free State

13. Bloemfontein

14. South Africa

Abstract

We have revised the structures of neutral water clusters, (H₂O)_n=2–30, with the affordable M06-2X functional, presenting up to 25 isomers for each cluster size.

Funder

Abdus Salam International Centre for Theoretical Physics

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2019/NJ/C9NJ01659G

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