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Werhahn, Jasper C., Akase, Dai, Xantheas, Sotiris S. (2014) Universal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactions. The Journal of Chemical Physics, 141 (6). 64118pp. doi:10.1063/1.4891820

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Reference TypeJournal (article/letter/editorial)
TitleUniversal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactions
JournalThe Journal of Chemical Physics
AuthorsWerhahn, Jasper C.Author
Akase, DaiAuthor
Xantheas, Sotiris S.Author
Year2014 (August 14)Volume141
Issue6
PublisherAIP Publishing
DOIdoi:10.1063/1.4891820Search in ResearchGate
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Mindat Ref. ID2374611Long-form Identifiermindat:1:5:2374611:4
GUID0
Full ReferenceWerhahn, Jasper C., Akase, Dai, Xantheas, Sotiris S. (2014) Universal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactions. The Journal of Chemical Physics, 141 (6). 64118pp. doi:10.1063/1.4891820
Plain TextWerhahn, Jasper C., Akase, Dai, Xantheas, Sotiris S. (2014) Universal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactions. The Journal of Chemical Physics, 141 (6). 64118pp. doi:10.1063/1.4891820
In(2014, August) The Journal of Chemical Physics Vol. 141 (6) AIP Publishing

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Xantheas, Sotiris S., Werhahn, Jasper C. (2014) Universal scaling of potential energy functions describing intermolecular interactions. I. Foundations and scalable forms of new generalized Mie, Lennard-Jones, Morse, and Buckingham exponential-6 potentials. The Journal of Chemical Physics, 141 (6). 64117pp. doi:10.1063/1.4891819
Xantheas, Sotiris S. (1994) Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions. The Journal of Chemical Physics, 100 (10). 7523-7534 doi:10.1063/1.466846
Werhahn, Jasper C., Miliordos, Evangelos, Xantheas, Sotiris S. (2015) A new variation of the Buckingham exponential-6 potential with a tunable, singularity-free short-range repulsion and an adjustable long-range attraction. Chemical Physics Letters, 619. 133-138 doi:10.1016/j.cplett.2014.11.051
Burnham, Christian J., Xantheas, Sotiris S. (2002) Development of transferable interaction models for water. I. Prominent features of the water dimer potential energy surface. The Journal of Chemical Physics, 116 (4). 1479-1492 doi:10.1063/1.1423940
Ballal, Deepti, Venkataraman, Pradeep, Fouad, Wael A., Cox, Kenneth R., Chapman, Walter G. (2014) Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions. The Journal of Chemical Physics, 141 (6). 64905pp. doi:10.1063/1.4892341
Mato, Joani, Willow, Soohaeng Yoo, Werhahn, Jasper C., Xantheas, Sotiris S. (2023) The Back Door to the Surface Hydrated Electron. The Journal of Physical Chemistry Letters, 14 (36) 8221-8226 doi:10.1021/acs.jpclett.3c01479
Cabaleiro-Lago, Enrique M., Rı́os, Miguel A. (1998) Potential functions for describing intermolecular interactions in cyanoacetylene clusters. The Journal of Chemical Physics, 109 (19). 8398-8406 doi:10.1063/1.477502
Xantheas, Sotiris S., Dang, Liem X. (1996) Critical Study of Fluoride−Water Interactions. The Journal of Physical Chemistry, 100 (10). 3989-3995 doi:10.1021/jp953114j
Werhahn, Jasper C., Pandelov, Stanislav, Xantheas, Sotiris S., Iglev, Hristo (2011) Dynamics of Weak, Bifurcated, and Strong Hydrogen Bonds in Lithium Nitrate Trihydrate. The Journal of Physical Chemistry Letters, 2 (13). 1633-1638 doi:10.1021/jz200591v
Wasserman, Evgeny, Rustad, James R., Xantheas, Sotiris S. (1997) Interaction potential of Al3+ in water from first principles calculations. The Journal of Chemical Physics, 106 (23). 9769-9780 doi:10.1063/1.473866
McDaniel, Jesse G., Yethiraj, Arun (2016) Comment on “Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions” [J. Chem. Phys. 141, 064905 (2014)]. The Journal of Chemical Physics, 144 (13). 137101pp. doi:10.1063/1.4944978
 
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