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

Böes, Elvis S., Bernardi, Edson, Stassen, Hubert, Gonçalves, Paulo F.B. (2008) Solvation of monovalent anions in formamide and methanol: Parameterization of the IEF-PCM model. Chemical Physics, 344. 101-113 doi:10.1016/j.chemphys.2007.12.006

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleSolvation of monovalent anions in formamide and methanol: Parameterization of the IEF-PCM model
JournalChemical Physics
AuthorsBöes, Elvis S.Author
Bernardi, EdsonAuthor
Stassen, HubertAuthor
Gonçalves, Paulo F.B.Author
Year2008 (February)Volume344
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.12.006Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5961430Long-form Identifiermindat:1:5:5961430:0
GUID0
Full ReferenceBöes, Elvis S., Bernardi, Edson, Stassen, Hubert, Gonçalves, Paulo F.B. (2008) Solvation of monovalent anions in formamide and methanol: Parameterization of the IEF-PCM model. Chemical Physics, 344. 101-113 doi:10.1016/j.chemphys.2007.12.006
Plain TextBöes, Elvis S., Bernardi, Edson, Stassen, Hubert, Gonçalves, Paulo F.B. (2008) Solvation of monovalent anions in formamide and methanol: Parameterization of the IEF-PCM model. Chemical Physics, 344. 101-113 doi:10.1016/j.chemphys.2007.12.006
In(n.d.) Chemical Physics Vol. 344. Elsevier BV

See Also

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

Böes, Elvis S., Livotto, Paolo R., Stassen, Hubert (2006) Solvation of monovalent anions in acetonitrile and N,N-dimethylformamide: Parameterization of the IEF-PCM model. Chemical Physics, 331. 142-158 doi:10.1016/j.chemphys.2006.08.028
Böes, Elvis S., Andrade, Jones de, Stassen, Hubert, Gonçalves, Paulo F.B. (2007) Computational study of anion solvation in nitrobenzene. Chemical Physics Letters, 436. 362-367 doi:10.1016/j.cplett.2007.01.063
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
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
de Andrade, Jones, Böes, Elvis S., Stassen, Hubert (2002) Computational Study of Room Temperature Molten Salts Composed by 1-Alkyl-3-methylimidazolium CationsForce-Field Proposal and Validation. The Journal of Physical Chemistry B, 106 (51). 13344-13351 doi:10.1021/jp0216629
de Andrade, Jones, Böes, Elvis S., Stassen, Hubert (2002) A Force Field for Liquid State Simulations on Room Temperature Molten Salts:  1-Ethyl-3-methylimidazolium Tetrachloroaluminate. The Journal of Physical Chemistry B, 106 (14). 3546-3548 doi:10.1021/jp014229s
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, 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
Thompson, Jason D., Cramer, Christopher J., Truhlar, Donald G. (2004) New Universal Solvation Model and Comparison of the Accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEF-PCM Continuum Solvation Models for Aqueous and Organic Solvation Free Energies and for Vapor Pressures. The Journal of Physical Chemistry A, 108 (31). 6532-6542 doi:10.1021/jp0496295
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
Gonçalves, Paulo F.B., Livotto, Paolo R. (1999) Optimization of molecular cavities in the PCM of neutral molecules using charge dependent atomic radii: applications to the semi-empirical AM1 and MNDO/PM3 methods. Chemical Physics Letters, 304. 438-444 doi:10.1016/s0009-2614(99)00341-3
 
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 6, 2026 23:02:26
Go to top of page