Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water-Reference-Cited by-同舟云学术

Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

Published:2008-02-21 Issue:7 Volume:128 Page:074506
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Fanourgakis George S.,Xantheas Sotiris S.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2837299

Reference79 articles.

1. Infrared Spectrum of a Molecular Ice Cube: The S 4 and D 2 d Water Octamers in Benzene-(Water) 8

2. Formation of Cyclic Water Hexamer in Liquid Helium: The Smallest Piece of Ice

3. The formation of cyclic water complexes by sequential ring insertion: Experiment and theory

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

5. High-level ab initio calculations for the four low-lying families of minima of(H2O)20. II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks

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