Vote for your favorite mineral in #MinCup25! - Paddlewheelite vs. Mannardite
It's a battle of the tiny as bright green #paddlewheelite goes up against jet black #mannardite. Both are small yet mighty minerals, but only one can win!
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

Swart, Marcel, Rösler, Ernst, Bickelhaupt, F. Matthias (2006) Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. Journal of Computational Chemistry, 27 (13). 1486-1493 doi:10.1002/jcc.20431

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleProton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation
JournalJournal of Computational Chemistry
AuthorsSwart, MarcelAuthor
Rösler, ErnstAuthor
Bickelhaupt, F. MatthiasAuthor
Year2006 (October)Volume27
Issue13
PublisherWiley
DOIdoi:10.1002/jcc.20431Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3148575Long-form Identifiermindat:1:5:3148575:9
GUID0
Full ReferenceSwart, Marcel, Rösler, Ernst, Bickelhaupt, F. Matthias (2006) Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. Journal of Computational Chemistry, 27 (13). 1486-1493 doi:10.1002/jcc.20431
Plain TextSwart, Marcel, Rösler, Ernst, Bickelhaupt, F. Matthias (2006) Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation. Journal of Computational Chemistry, 27 (13). 1486-1493 doi:10.1002/jcc.20431
In(2006, October) Journal of Computational Chemistry Vol. 27 (13) Wiley

See Also

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

Swart, Marcel, Rösler, Ernst, Bickelhaupt, F. Matthias (2007) Proton Affinities in Water of Maingroup-Element Hydrides – Effects of Hydration and Methyl Substitution. European Journal of Inorganic Chemistry, 2007 (23) 3646-3654 doi:10.1002/ejic.200700228
Mulder, R. Joshua, Guerra, Célia Fonseca, Bickelhaupt, F. Matthias (2010) Methyl Cation Affinities of Neutral and Anionic Maingroup-Element Hydrides: Trends Across the Periodic Table and Correlation with Proton Affinities. The Journal of Physical Chemistry A, 114 (28). 7604-7608 doi:10.1021/jp103011k
Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias (2019) Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table. The Journal of Physical Chemistry A, 123 (42). 9137-9148 doi:10.1021/acs.jpca.9b03814
Ruiz, Juan M., Mulder, R. Joshua, Guerra, Célia Fonseca, Bickelhaupt, F. Matthias (2011) Steric effects on alkyl cation affinities of maingroup-element hydrides. Journal of Computational Chemistry, 32 (4). 681-688 doi:10.1002/jcc.21673
Swart, Marcel, Solà, Miquel, Bickelhaupt, F. Matthias (2011) Inter- and intramolecular dispersion interactions. Journal of Computational Chemistry, 32 (6). 1117-1127 doi:10.1002/jcc.21693
Swart, Marcel, Bickelhaupt, F. Matthias (2008) QUILD: QUantum-regions interconnected by local descriptions. Journal of Computational Chemistry, 29 (5). 724-734 doi:10.1002/jcc.20834
Ruiz, Juan M., Fonseca Guerra, Célia, Bickelhaupt, F. Matthias (2011) tert-Butyl Cation Affinities of Maingroup-Element Hydrides: Effect of Methyl Substituents at the Protophilic Center. The Journal of Physical Chemistry A, 115 (29). 8310-8315 doi:10.1021/jp204167u
Mulder, Joshua R., Guerra, Célia Fonseca, Slootweg, J. Chris, Lammertsma, Koop, Bickelhaupt, F. Matthias (2016) Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table. Journal of Computational Chemistry, 37 (2). 304-313 doi:10.1002/jcc.24197
Swart, Marcel, Solà, Miquel, Bickelhaupt, F. Matthias (2007) Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods. Journal of Computational Chemistry, 28 (9). 1551-1560 doi:10.1002/jcc.20653
De Jong, G. Theodoor, Geerke, Daan P., Diefenbach, Axel, Solà, Miquel, Bickelhaupt, F. Matthias (2005) Oxidative addition of the ethane CC bond to Pd. Anab initiobenchmark and DFT validation study. Journal of Computational Chemistry, 26 (10). 1006-1020 doi:10.1002/jcc.20233
Carvalho, Alexandra T. P., Fernandes, Pedro A., Swart, Marcel, Van Stralen, Joost N. P., Bickelhaupt, F. Matthias, Ramos, Maria J. (2009) Role of the variable active site residues in the function of thioredoxin family oxidoreductases. Journal of Computational Chemistry, 30 (5). 710-724 doi:10.1002/jcc.21086
 
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 16, 2025 17:02:24
Go to top of page