Benchmarks of graph invariants for hydrogen-bond networks in water clusters of different topology-Reference-Cited by-同舟云学术

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Benchmarks of graph invariants for hydrogen-bond networks in water clusters of different topology

Published:2015-09-11 Issue:10 Volume:134 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Tokmachev Andrey M.,Tchougréeff Andrei L.,Dronskowski Richard

Funder

Russian Foundation for Basic Research (RU)

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-015-1720-9.pdf

Reference27 articles.

1. Hoepfner V, Deringer VL, Dronskowski R (2012) Accurate hydrogen positions in organic crystals: assessing a quantum-chemical aide. Cryst Growth Des 12:1014–1021

2. Hoepfner V, Deringer VL, Dronskowski R (2012) Hydrogen-bonding networks from first principles: exploring the guanidine crystal. J Phys Chem A 116:4551–4559

3. Deringer VL, Englert U, Dronskowski R (2014) Covalency of hydrogen bonds in solids revisited. Chem Commun 50:11547–11549

4. Bernal JD, Fowler RH (1933) A theory of water and ionic solution, with particular reference to hydrogen and hydroxyl ions. J Chem Phys 1:515–548

5. Yoo S, Kirov MV, Xantheas SS (2009) Low-energy networks of the T-cage $$(\text{ H }_2{\rm O})_{24}$$ ( H 2 O ) 24 cluster and their use in constructing periodic unit cells of the structure I (sI) hydrate lattice. J Am Chem Soc 131:7564–7566

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1. Cubic water clusters as building blocks for self-assembly;Chemical Physics;2023-08

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3. Error-Safe, Portable, and Efficient Evolutionary Algorithms Implementation with High Scalability;Journal of Chemical Theory and Computation;2016-09-29

4. Classification of hydrogen bond flips in small water polyhedra applied to concerted proton tunneling;Physical Chemistry Chemical Physics;2016

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