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Hess, Bernd, Bruna, Pablo J., Buenker, Robert J., Peyerimhoff, Sigrid D. (1976) Ab initio CI study of the electronic spectrum of acetone. Chemical Physics, 18. 267-280 doi:10.1016/0301-0104(76)87108-x

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Reference TypeJournal (article/letter/editorial)
TitleAb initio CI study of the electronic spectrum of acetone
JournalChemical Physics
AuthorsHess, BerndAuthor
Bruna, Pablo J.Author
Buenker, Robert J.Author
Peyerimhoff, Sigrid D.Author
Year1976 (December)Volume18
PublisherElsevier BV
DOIdoi:10.1016/0301-0104(76)87108-xSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID5947660Long-form Identifiermindat:1:5:5947660:3
GUID0
Full ReferenceHess, Bernd, Bruna, Pablo J., Buenker, Robert J., Peyerimhoff, Sigrid D. (1976) Ab initio CI study of the electronic spectrum of acetone. Chemical Physics, 18. 267-280 doi:10.1016/0301-0104(76)87108-x
Plain TextHess, Bernd, Bruna, Pablo J., Buenker, Robert J., Peyerimhoff, Sigrid D. (1976) Ab initio CI study of the electronic spectrum of acetone. Chemical Physics, 18. 267-280 doi:10.1016/0301-0104(76)87108-x
In(n.d.) Chemical Physics Vol. 18. Elsevier BV

See Also

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Hirsch, Gerhard, Bruna, Pablo J., Peyerimhoff, Sigrid D., Buenker, Robert J. (1977) Ab initio CI study of the stability and electronic spectrum of the HOCl molecule. Chemical Physics Letters, 52. 442-448 doi:10.1016/0009-2614(77)80483-1
Lewerenz, Marius, Bruna, Pablo J., Peyerimhoff, Sigrid D., Buenker, Robert J. (1983) Ab initioMRD-CI study of the electronic spectrum of SiH. Molecular Physics, 49. 1-24 doi:10.1080/00268978300101001
Buenker, Robert J., Peyerimhoff, Sigrid D. (1975) Ab initio calculations on the electronic spectrum of ethane. Chemical Physics, 8. 56-67 doi:10.1016/0301-0104(75)80094-2
Bruna, Pablo J., Buenker, Robert J., Peyerimhoff, Sigrid D. (1976) Ab initio study of the structure, isomers and vertical electronic spectrum of the formyl radical HCO. Journal of Molecular Structure, 32 (2) 217-233 doi:10.1016/0022-2860(76)85001-6
Bruna, Pablo J., Peyerimhoff, Sigrid D., Buenker, Robert J. (1978) Ab initio SCF and CI study of the HCS+-CSH+ system: Potential surfaces for hydrogen abstraction and internuclear bending For ground and excited states and vertical spectrum for HCS+. Chemical Physics, 27. 33-43 doi:10.1016/0301-0104(78)85159-3
Römelt, Joachim, Peyerimhoff, Sigrid D., Buenker, Robert J. (1981) Ab initio MRD-CI study of the rydberg states of methylene. Chemical Physics, 54. 147-158 doi:10.1016/0301-0104(81)80230-3
BRUNA, PABLO J., BUENKER, ROBERT J., PEYERIMHOFF, SIGRID D. (1976) ChemInform Abstract: AB INITIO STUDY OF THE STRUCTURE, ISOMERS AND VERTICAL ELECTRONIC SPECTRUM OF THE FORMYL RADICAL HCO. Chemischer Informationsdienst, 7 (29) doi:10.1002/chin.197629060
Shih, Shing-kuo, Peyerimhoff, Sigrid D., Buenker, Robert J. (1976) Ab initio configuration interaction calculations for the electronic spectrum of hydrogen sulfide. Chemical Physics, 17. 391-402 doi:10.1016/s0301-0104(76)80003-1
Hirsch, Gerhard, Bruna, Pablo J., Buenker, Robert J., Peyerimhoff, Sigrid D. (1980) Non-adiabatic coupling matrix elements <Ψz|∂/∂Q|Ψβ> for large CI wavefunctions. Chemical Physics, 45. 335-347 doi:10.1016/0301-0104(80)87001-7
Phillips, Robin A., Buenker, Robert J., Bruna, Pablo J., Peyerimhoff, Sigrid D. (1984) Approaching the full CI limit with MRD CI calculations: The X 1A1 state of water with a double-zeta basis. Chemical Physics, 84. 11-19 doi:10.1016/0301-0104(84)80002-6
Vasudevan, Krishnaswamy, Peyerimhoff, Sigrid D., Buenker, Robert J., Kammer, Wolf E., Hsu, Hsiang-lin (1975) Theoretical study of the electronic spectrum of diimide by AB initio methods. Chemical Physics, 7. 187-209 doi:10.1016/0301-0104(75)87002-9
 
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