Concepedia

Structure and stability of the (H2O)21 and (H2O)20· (H2S) clusters: Relevance of cluster systems to gas hydrate formation

Valerie Nicole McCarthy, Kenneth D. Jordan

Chemical Physics Letters · 2006 · 14 citations · 7 references

DOI

Concepts

References

7

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin W. Feyereisen, George Fitzgerald, Andrew Komornicki · Chemical Physics Letters · 1993 · 1.3K citations

, , +12

Infrared Signature of Structures Associated with the H <sup>+</sup> (H <sub>2</sub> O) <i> <sub>n</sub> </i> ( <i>n</i> = 6 to 27) Clusters

Joong‐Won Shin, Nathan I. Hammer, Eric G. Diken et al. · Science · 2004 · 574 citations

, , +17

Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an <i>ab initio</i> monomer dipole moment surface

Christian J. Burnham, Sotiris S. Xantheas · The Journal of Chemical Physics · 2002 · 257 citations

, , +17