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

Raghavachari, Krishnan, Strout, D.L., Odom, G.K., Scuseria, G.E., Pople, J.A., Johnson, B.G., Gill, P.M.W. (1993) Isomers of C20. Dramatic effect of gradient corrections in density functional theory. Chemical Physics Letters, 214. 357-361 doi:10.1016/0009-2614(93)85650-d

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleIsomers of C20. Dramatic effect of gradient corrections in density functional theory
JournalChemical Physics Letters
AuthorsRaghavachari, KrishnanAuthor
Strout, D.L.Author
Odom, G.K.Author
Scuseria, G.E.Author
Pople, J.A.Author
Johnson, B.G.Author
Gill, P.M.W.Author
Year1993 (November)Volume214
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(93)85650-dSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID5890209Long-form Identifiermindat:1:5:5890209:5
GUID0
Full ReferenceRaghavachari, Krishnan, Strout, D.L., Odom, G.K., Scuseria, G.E., Pople, J.A., Johnson, B.G., Gill, P.M.W. (1993) Isomers of C20. Dramatic effect of gradient corrections in density functional theory. Chemical Physics Letters, 214. 357-361 doi:10.1016/0009-2614(93)85650-d
Plain TextRaghavachari, Krishnan, Strout, D.L., Odom, G.K., Scuseria, G.E., Pople, J.A., Johnson, B.G., Gill, P.M.W. (1993) Isomers of C20. Dramatic effect of gradient corrections in density functional theory. Chemical Physics Letters, 214. 357-361 doi:10.1016/0009-2614(93)85650-d
In(n.d.) Chemical Physics Letters Vol. 214. Elsevier BV

See Also

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

Raghavachari, Krishnan, Zhang, Bulin, Pople, John A., Johnson, B.G., Gill, P.M.W. (1994) Isomers of C24. Density functional studies including gradient corrections. Chemical Physics Letters, 220. 385-390 doi:10.1016/0009-2614(94)00192-8
Curtiss, L.A., Raghavachari, K., Pople, J.A. (1993) The accurate determination of enthalpies of formation. Chemical Physics Letters, 214. 183-185 doi:10.1016/0009-2614(93)90078-f
Gill, Peter M.W, Johnson, Benny G, Pople, John A (1993) A standard grid for density functional calculations. Chemical Physics Letters, 209. 506-512 doi:10.1016/0009-2614(93)80125-9
Strout, Douglas L., Murry, Robert L., Xu, Chunhui, Eckhoff, Wade C., Odom, Gregory K., Scuseria, Gustavo E. (1993) A theoretical study of buckminsterfullerene reaction products: C60+C60. Chemical Physics Letters, 214. 576-582 doi:10.1016/0009-2614(93)85686-i
Raghavachari, Krishnan, McMichael Rohlfing, Celeste (1993) Isomers of C78. Competition between electronic and steric factors. Chemical Physics Letters, 208. 436-440 doi:10.1016/0009-2614(93)87169-4
Pople, John A., Gill, Peter M.W., Johnson, Benny G. (1992) Kohn—Sham density-functional theory within a finite basis set. Chemical Physics Letters, 199. 557-560 doi:10.1016/0009-2614(92)85009-y
Alonso, J.A., Girifalco, L.A. (1978) Gradient corrections in the energy density functional. Chemical Physics Letters, 53. 190-191 doi:10.1016/0009-2614(78)80421-7
Johnson, Benny G., Gill, Peter M.W., Pople, John A. (1994) A rotationally invariant procedure for density functional calculations. Chemical Physics Letters, 220. 377-384 doi:10.1016/0009-2614(94)00199-5
Johnson, Benny G., Frisch, Michael J. (1993) Analytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivatives. Chemical Physics Letters, 216. 133-140 doi:10.1016/0009-2614(93)e1238-c
Frisch, Michael J., Del Bene, Janet E., Raghavachari, Krishnan, Pople, John A. (1981) Basis set dependence of correlation corrections to protonation energies. Chemical Physics Letters, 83. 240-242 doi:10.1016/0009-2614(81)85453-x
Balasubramanian, K. (1993) Enumeration of isomers of substituted fullerene cages C20î—¸C50. Chemical Physics Letters, 202. 399-405 doi:10.1016/0009-2614(93)90060-e
 
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 27, 2025 21:21:25
Go to top of page