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

Bolotin, A.B., Kuzmenko, V.V., Rossikhin, V.V., Voronkov, E.O. (1994) Determination of physically justified STO basis sets for molecular dipole moment and polarizability calculations. Journal of Molecular Structure: THEOCHEM, 311. 233-240 doi:10.1016/s0166-1280(09)80061-4

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleDetermination of physically justified STO basis sets for molecular dipole moment and polarizability calculations
JournalJournal of Molecular Structure: THEOCHEM
AuthorsBolotin, A.B.Author
Kuzmenko, V.V.Author
Rossikhin, V.V.Author
Voronkov, E.O.Author
Year1994 (July)Volume311
PublisherElsevier BV
DOIdoi:10.1016/s0166-1280(09)80061-4Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID8783409Long-form Identifiermindat:1:5:8783409:5
GUID0
Full ReferenceBolotin, A.B., Kuzmenko, V.V., Rossikhin, V.V., Voronkov, E.O. (1994) Determination of physically justified STO basis sets for molecular dipole moment and polarizability calculations. Journal of Molecular Structure: THEOCHEM, 311. 233-240 doi:10.1016/s0166-1280(09)80061-4
Plain TextBolotin, A.B., Kuzmenko, V.V., Rossikhin, V.V., Voronkov, E.O. (1994) Determination of physically justified STO basis sets for molecular dipole moment and polarizability calculations. Journal of Molecular Structure: THEOCHEM, 311. 233-240 doi:10.1016/s0166-1280(09)80061-4
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 311. Elsevier BV

See Also

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

Bolotin, A.B., Kuzmenko, V.V., Rossikhin, V.V., Voronkov, E.O. (1994) Determination of physically justified STO basis sets for molecular dipole moment and polarizability calculations. Journal of Molecular Structure, 311. 233-240 doi:10.1016/s0022-2860(10)80033-x
Rossikhin, V.V., Voronkov, E.O., Kuz'menko, V.V. (1995) Method of basis set construction in ab initio calculations of molecular magnetic properties. Journal of Magnetism and Magnetic Materials, 145. 192-194 doi:10.1016/0304-8853(95)00521-8
Luzanov, A.V., Babich, E.N., Ivanov, V.V. (1994) Gauge-invariant calculations of magnetic properties in semiempirical approaches. Application to full-CI π-electron scheme. Journal of Molecular Structure: THEOCHEM, 311. 211-220 doi:10.1016/s0166-1280(09)80059-6
(1994) Author index. Journal of Molecular Structure: THEOCHEM, 311. 359pp. doi:10.1016/s0166-1280(09)80073-0
(1994) Subject index. Journal of Molecular Structure: THEOCHEM, 311. 361-364 doi:10.1016/s0166-1280(09)80074-2
Rossikhin, V.V., Voronkov, E.O., Kuzmenko, V.V. (1992) Magnetic properties of molecules with Gauss-type function depending on perturbation. Journal of Magnetism and Magnetic Materials, 104. 2127-2128 doi:10.1016/0304-8853(92)91696-q
Maroulis, George (2003) Electric multipole moment, dipole and quadrupole (hyper)polarizability derivatives for HF (X1Σ+). Journal of Molecular Structure: THEOCHEM, 633. 177-197 doi:10.1016/s0166-1280(03)00273-2
(1994) Editorial Board. Journal of Molecular Structure: THEOCHEM, 310. doi:10.1016/s0166-1280(09)80075-4
Wilson, A (1996) Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon. Journal of Molecular Structure: THEOCHEM, 388. 339-349 doi:10.1016/s0166-1280(96)04689-1
Nath, S., Sannigrahi, A.B., Chattaraj, P.K. (1994) Effect of basis sets on ab initio SCF calculations of molecular hardness. Journal of Molecular Structure: THEOCHEM, 306. 87-90 doi:10.1016/0166-1280(94)80207-6
Bolshakov, V., Rossikhin, V., Voronkov, E., Okovytyy, S., Leszczynski, J. (2010) Accurate calculations of second-order electric and magnetic properties: Two ways of physically justified modifications of basis sets. Chemical Physics, 372. 67-71 doi:10.1016/j.chemphys.2010.04.033
 
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 20:11:00
Go to top of page