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

Beaucamp, Sylvain, Mathieu, Didier, Agafonov, Viatcheslav (2007) Optimal partitioning of molecular properties into additive contributions: the case of crystal volumes. Acta Crystallographica Section B Structural Science, 63 (2) 277-284 doi:10.1107/s0108768106052463

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleOptimal partitioning of molecular properties into additive contributions: the case of crystal volumes
JournalActa Crystallographica Section B Structural Science
AuthorsBeaucamp, SylvainAuthor
Mathieu, DidierAuthor
Agafonov, ViatcheslavAuthor
Year2007 (April 1)Volume63
Issue2
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s0108768106052463Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID187816Long-form Identifiermindat:1:5:187816:9
GUID0
Full ReferenceBeaucamp, Sylvain, Mathieu, Didier, Agafonov, Viatcheslav (2007) Optimal partitioning of molecular properties into additive contributions: the case of crystal volumes. Acta Crystallographica Section B Structural Science, 63 (2) 277-284 doi:10.1107/s0108768106052463
Plain TextBeaucamp, Sylvain, Mathieu, Didier, Agafonov, Viatcheslav (2007) Optimal partitioning of molecular properties into additive contributions: the case of crystal volumes. Acta Crystallographica Section B Structural Science, 63 (2) 277-284 doi:10.1107/s0108768106052463
In(2007, April) Acta Crystallographica Section B Structural Science Vol. 63 (2) International Union of Crystallography (IUCr)

See Also

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

Beaucamp, Sylvain, Marchet, Nicolas, Mathieu, Didier, Agafonov, Viatcheslav (2003) Calculation of the crystal densities of molecular salts and hydrates using additive volumes for charged groups. Acta Crystallographica Section B Structural Science, 59 (4) 498-504 doi:10.1107/s0108768103012953
Beaucamp, Sylvain, Mathieu, Didier, Agafonov, Viatcheslav (2005) Relaxation of open crystal structures with a density functional tight-binding scheme: Illustration in the case of the acetonitrile crystal. Computational Materials Science, 33 (1). 212-217 doi:10.1016/j.commatsci.2004.12.038
Beaucamp, Sylvain, Bernand-Mantel, Anne, Mathieu, Didier, Agafonov, Viatcheslav (2004) Ab initiosolid-state heats of formation of molecular salts from ion packing and crystal modelling: application to ammonium crystals. Molecular Physics, 102. 253-258 doi:10.1080/00268970410001668499
Beaucamp, Sylvain, Mathieu, Didier, Agafonov, Viatcheslav (2005) Parametrization of Semiempirical Models against ab Initio Crystal Data:  Evaluation of Lattice Energies of Nitrate Salts. The Journal of Physical Chemistry B, 109 (34). 16469-16473 doi:10.1021/jp053263u
Buchsbaum, Christian, Schmidt, Martin U. (2007) Rietveld refinement of a wrong crystal structure. Acta Crystallographica Section B Structural Science, 63 (6) 926-932 doi:10.1107/s0108768107050823
Strickland, P. R. (2007) Notes for authors 2007. Acta Crystallographica Section B Structural Science, 63 (1) 162-167 doi:10.1107/s0108768106044806
Caticha-Ellis, S., Abrahams, S. C. (1968) The crystal and molecular structure of 4,4'-dibromo- and 4,4'-dichlorodibenzoyl peroxide. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 24 (2) 277-280 doi:10.1107/s0567740868002098
Tamazyan, Rafael, van Smaalen, Sander (2007) Quantitative description of the tilt of distorted octahedra inABX3structures. Acta Crystallographica Section B Structural Science, 63 (2) 190-200 doi:10.1107/s010876810605244x
Fingerland, A. (1971) Some properties of the single-crystal rocking curve in the Bragg case. Acta Crystallographica Section A, 27 (3) 280-284 doi:10.1107/s0567739471000639
Abrahams, S. C. (2007) Systematic prediction of new ferroelectrics in space groupR3. II. Acta Crystallographica Section B Structural Science, 63 (2) 257-269 doi:10.1107/s0108768107005290
Reeswinkel, Thomas, Prinz, Sebastian, Sparta, Karine M., Roth, Georg (2007) Synthesis and structural characterization of BaV4O9. Acta Crystallographica Section B Structural Science, 63 (2) 270-276 doi:10.1107/s0108768107003734
 
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: August 29, 2025 03:59:21
Go to top of page