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 ChemistryMineral Visual ExplorerAdvanced 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 QuizTime Machine
Photo SearchPhoto GalleriesSearch by ColorPhoto Colour ExplorerNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Goncalves, Paulo F. B., Stassen, Hubert (2005) Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation. The Journal of Chemical Physics, 123 (21). 214109pp. doi:10.1063/1.2132282

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleFree energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation
JournalThe Journal of Chemical Physics
AuthorsGoncalves, Paulo F. B.Author
Stassen, HubertAuthor
Year2005 (December)Volume123
Issue21
PublisherAIP Publishing
DOIdoi:10.1063/1.2132282Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2299080Long-form Identifiermindat:1:5:2299080:6
GUID0
Full ReferenceGoncalves, Paulo F. B., Stassen, Hubert (2005) Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation. The Journal of Chemical Physics, 123 (21). 214109pp. doi:10.1063/1.2132282
Plain TextGoncalves, Paulo F. B., Stassen, Hubert (2005) Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation. The Journal of Chemical Physics, 123 (21). 214109pp. doi:10.1063/1.2132282
In(2005, December) The Journal of Chemical Physics Vol. 123 (21) AIP Publishing

See Also

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

Gonçalves, Paulo F. B., Stassen, Hubert (2002) New approach to free energy of solvation applying continuum models to molecular dynamics simulation. Journal of Computational Chemistry, 23 (7). 706-714 doi:10.1002/jcc.10076
Gonçalves, Paulo F. B., Stassen, Hubert (2003) Free energy of solvation from molecular dynamics simulations for low dielectric solvents. Journal of Computational Chemistry, 24 (14). 1758-1765 doi:10.1002/jcc.10294
Gonçalves, P. F. B., Stassen, H. (2004) Calculation of the free energy of solvation from molecular dynamics simulations. Pure and Applied Chemistry, 76 (1) 231-240 doi:10.1351/pac200476010231
Smith, E. J., Bryk, T., Haymet, A. D. J. (2005) Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl− and Na+ in the ice/water interface. The Journal of Chemical Physics, 123 (3). 34706pp. doi:10.1063/1.1953578
Marques Martins, Márcio, Stassen, Hubert (2003) Density-dependent solvation dynamics in a simple Lennard-Jones fluid. The Journal of Chemical Physics, 118 (12). 5558-5565 doi:10.1063/1.1555632
Izvekov, Sergei, Voth, Gregory A. (2005) Ab initio molecular-dynamics simulation of aqueous proton solvation and transport revisited. The Journal of Chemical Physics, 123 (4). 44505pp. doi:10.1063/1.1961443
Feibelman, Peter J. (2007) Comment on “Free energy of solvation of simple ions: Molecular dynamics study of solvation of Cl− and Na+ in the ice/water interface” [J. Chem. Phys. 123, 034706 (2005)]. The Journal of Chemical Physics, 126 (23). 237101pp. doi:10.1063/1.2737662
Bernardi, Edson, Marques Martins, Márcio, Stassen, Hubert (2005) The breakdown of linear response theory in non-polar solvation dynamics. Chemical Physics Letters, 407. 171-175 doi:10.1016/j.cplett.2005.03.067
Germano, Guido, Schmid, Friederike (2005) Nematic-isotropic interfaces under shear: A molecular-dynamics simulation. The Journal of Chemical Physics, 123 (21). 214703pp. doi:10.1063/1.2131065
Bernardi, Edson, Stassen, Hubert (2004) Molecular dynamics simulations of acetonitrile/dimethyl sulfoxide liquid mixtures. The Journal of Chemical Physics, 120 (10). 4860-4867 doi:10.1063/1.1644540
Izvekov, Sergei, Voth, Gregory A. (2006) Erratum: “Ab initio molecular-dynamics simulation of aqueous proton solvation and transport revisited” [J. Chem. Phys. 123, 044505 (2005)]. The Journal of Chemical Physics, 124 (3). 39901pp. doi:10.1063/1.2149856
 
and/or  
Mindat.org® is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization. Mindat® and mindat.org® are registered trademarks of the Hudson Institute of Mineralogy.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2026, 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 and Ida Chau.
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: June 7, 2026 03:13:42
Go to top of page