Vote for your favorite mineral in #MinCup25! - Carpathite vs. Leucite
Brace for oddness in a match between one of the very few hydrocarbon minerals carpathite and the temperature-flipping mineral leucite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Réal, Florent, Vallet, Valérie, Flament, Jean-Pierre, Masella, Michel (2013) Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems. The Journal of Chemical Physics, 139 (11). 114502pp. doi:10.1063/1.4821166

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleRevisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems
JournalThe Journal of Chemical Physics
AuthorsRéal, FlorentAuthor
Vallet, ValérieAuthor
Flament, Jean-PierreAuthor
Masella, MichelAuthor
Year2013 (September 21)Volume139
Issue11
PublisherAIP Publishing
DOIdoi:10.1063/1.4821166Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2362371Long-form Identifiermindat:1:5:2362371:6
GUID0
Full ReferenceRéal, Florent, Vallet, Valérie, Flament, Jean-Pierre, Masella, Michel (2013) Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems. The Journal of Chemical Physics, 139 (11). 114502pp. doi:10.1063/1.4821166
Plain TextRéal, Florent, Vallet, Valérie, Flament, Jean-Pierre, Masella, Michel (2013) Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems. The Journal of Chemical Physics, 139 (11). 114502pp. doi:10.1063/1.4821166
In(2013, September) The Journal of Chemical Physics Vol. 139 (11) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

MASELLA, MICHEL, FLAMENT, JEAN-PIERRE (1998) A many-body model for alcohols: applications to the cyclic methanol/water hetero trimers, and to the (methanol)n, (ethanol)n and (t-butanol)n cyclic clusters (n = 2-6). Molecular Physics, 95. 97-106 doi:10.1080/00268979809483136
FLAMENT, MICHEL MASELLA JEAN-PIERRE (1998) A many-body model for alcohols: applications to the cyclic methanol/water hetero trimers, and to the (methanol)n, (ethanol)n and (t-butanol)n cyclic clusters (n=2-6). Molecular Physics, 95. 97-106 doi:10.1080/002689798167412
Réal, Florent, Trumm, Michael, Schimmelpfennig, Bernd, Masella, Michel, Vallet, Valérie (2013) Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions. Journal of Computational Chemistry, 34 (9). 707-719 doi:10.1002/jcc.23184
Trumm, Michael, Martínez, Yansel Omar Guerrero, Réal, Florent, Masella, Michel, Vallet, Valérie, Schimmelpfennig, Bernd (2012) Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: The case of the halide ions F−, Cl−, and Br−. The Journal of Chemical Physics, 136 (4). 44509pp. doi:10.1063/1.3678294
Masella, Michel, Flament, Jean Pierre (1997) A pairwise and two many-body models for water: Influence of nonpairwise effects upon the stability and geometry of (H2O)n cyclic (n=3–6) and cagelike (n=6–20) clusters. The Journal of Chemical Physics, 107 (21). 9105-9116 doi:10.1063/1.475202
Acher, Eléonor, Masella, Michel, Vallet, Valérie, Réal, Florent (2020) Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation self-consistent engine. Physical Chemistry Chemical Physics, 22 (4). 2343-2350 doi:10.1039/c9cp04912f
Houriez, Céline, Réal, Florent, Vallet, Valérie, Mautner, Michael, Masella, Michel (2019) Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution. The Journal of Chemical Physics, 151 (17). 174504pp. doi:10.1063/1.5109777
Réal, Florent, Vallet, Valérie, Flament, Jean-Pierre, Schamps, Joël (2007) Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3. The Journal of Chemical Physics, 127 (10). 104705pp. doi:10.1063/1.2768532
Houriez, Céline, Vallet, Valérie, Réal, Florent, Meot-Ner (Mautner), Michael, Masella, Michel (2017) Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts. The Journal of Chemical Physics, 147 (16). 161720pp. doi:10.1063/1.4997996
Réal, Florent, Vallet, Valérie, Flament, Jean-Pierre, Schamps, Joël (2006) Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: Comparison of perturbative and variational electron correlation methods. The Journal of Chemical Physics, 125 (17). 174709pp. doi:10.1063/1.2361293
Masella, Michel, Flament, Jean Pierre (1998) Can the OH stretch vibrational spectra of (H2O)n clusters (n=1–6) be estimated from an empirical many-body model and a polynomial OH stretch potential?. Chemical Physics Letters, 286. 177-182 doi:10.1016/s0009-2614(98)00084-0
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 6, 2025 06:07:07
Go to top of page