Vote for your favorite mineral in #MinCup25! - Carpathite vs. Tugtupite
Battle of mineralogical oddities as organic mineral #carpathite battles against vs #tugtupite, a mineral that looks like reindeer blood!
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

Du, Ping, Hrovat, David A., Borden, Weston Thatcher (1989) Ab initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives. Journal Of The American Chemical Society, 111 (11) 3773-3778 doi:10.1021/ja00193a001

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAb initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives
JournalJournal Of The American Chemical Society
AuthorsDu, PingAuthor
Hrovat, David A.Author
Borden, Weston ThatcherAuthor
Year1989 (May)Volume111
Issue11
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00193a001Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID1431999Long-form Identifiermindat:1:5:1431999:0
GUID0
Full ReferenceDu, Ping, Hrovat, David A., Borden, Weston Thatcher (1989) Ab initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives. Journal Of The American Chemical Society, 111 (11) 3773-3778 doi:10.1021/ja00193a001
Plain TextDu, Ping, Hrovat, David A., Borden, Weston Thatcher (1989) Ab initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives. Journal Of The American Chemical Society, 111 (11) 3773-3778 doi:10.1021/ja00193a001
In(1989, May) Journal Of The American Chemical Society Vol. 111 (11) American Chemical Society (ACS)

See Also

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

Feller, David, Davidson, Ernest R., Borden, Weston Thatcher (1982) Ab initio calculations of the relative energies of triplet 2,4-dimethylenecyclobutane-1,3-diyl and singlet 2,4-dimethylenebicyclo[1.1.0]butane. Journal Of The American Chemical Society, 104 (5) 1216-1218 doi:10.1021/ja00369a011
Du, Ping., Hrovat, David A., Borden, Weston Thatcher. (1986) Ab initio calculations of the singlet-triplet energy separation in 3,4-dimethylenefuran and related diradicals. Journal Of The American Chemical Society, 108 (25) 8086-8087 doi:10.1021/ja00285a034
Xu, Jing Dong, Hrovat, David A., Borden, Weston Thatcher (1994) Ab Initio Calculations of the Potential Surfaces for the Lowest Singlet and Triplet States of 2,2-Difluorocyclopentane-1,3-diyl. The singlet Diradical Lies Below the Triplet. Journal Of The American Chemical Society, 116 (12) 5425-5427 doi:10.1021/ja00091a054
Hrovat, David A., Waali, Edward E., Borden, Weston Thatcher (1992) Ab initio calculations of the singlet-triplet energy difference in phenylnitrene. Journal Of The American Chemical Society, 114 (22) 8698-8699 doi:10.1021/ja00048a052
Zhang, Daisy Y., Hrovat, David A., Abe, Manabu, Borden, Weston Thatcher (2003) DFT Calculations on the Effects ofParaSubstituents on the Energy Differences between Singlet and Triplet States of 2,2-Difluoro-1,3-diphenylcyclopentane-1,3-diyls. Journal Of The American Chemical Society, 125 (42) 12823-12828 doi:10.1021/ja0355067
Skancke, Anne, Hrovat, David A., Borden, Weston Thatcher (1998) Ab Initio Calculations of the Effects of Geminal Silyl Substituents on the Stereomutation of Cyclopropane and on the Singlet−Triplet Splitting in Trimethylene. Journal Of The American Chemical Society, 120 (28) 7079-7084 doi:10.1021/ja980720u
Coolidge, Michael B., Yamashita, Koichi, Morokuma, Keiji, Borden, Weston Thatcher (1990) Ab initio MCSCF and CI calculations of the singlet-triplet energy differences in oxyallyl and in dimethyloxyallyl. Journal Of The American Chemical Society, 112 (5) 1751-1754 doi:10.1021/ja00161a015
Du, Ping., Hrovat, David A., Borden, Weston Thatcher. (1988) Ab initio calculations on the ring opening of cyclopropane radical cation. Trimethylene radical cation is not a stable intermediate. Journal Of The American Chemical Society, 110 (11) 3405-3412 doi:10.1021/ja00219a011
Du, Ping, Borden, Weston Thatcher (1987) Ab initio calculations predict a singlet ground state for tetramethyleneethane. Journal Of The American Chemical Society, 109 (3) 930-931 doi:10.1021/ja00237a066
FELLER, D., DAVIDSON, E. R., BORDEN, W. T. (1982) ChemInform Abstract: AB INITIO CALCULATIONS OF THE RELATIVE ENERGIES OF TRIPLET 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL AND SINGLET 2,4-DIMETHYLENEBICYCLO(1.1.0)BUTANE. Chemischer Informationsdienst, 13 (25) doi:10.1002/chin.198225059
Hrovat, David A., Borden, Weston Thatcher (1990) Ab initio calculations of the relative energies of 1,2-, 1,3-, and 1,4-dehydrocubane: prediction of dominant through-bond interaction in 1,4-dehydrocubane. Journal Of The American Chemical Society, 112 (2) 875-876 doi:10.1021/ja00158a062
 
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 20, 2025 17:46:01
Go to top of page