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Krogh-Jespersen, Karsten (1991) Ab initio electronic structure calculations on the benzene dication and other C6H62+ isomers. Journal Of The American Chemical Society, 113 (2) 417-423 doi:10.1021/ja00002a006

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Reference TypeJournal (article/letter/editorial)
TitleAb initio electronic structure calculations on the benzene dication and other C6H62+ isomers
JournalJournal Of The American Chemical Society
AuthorsKrogh-Jespersen, KarstenAuthor
Year1991 (January)Volume113
Issue2
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00002a006Search in ResearchGate
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Mindat Ref. ID1451969Long-form Identifiermindat:1:5:1451969:7
GUID0
Full ReferenceKrogh-Jespersen, Karsten (1991) Ab initio electronic structure calculations on the benzene dication and other C6H62+ isomers. Journal Of The American Chemical Society, 113 (2) 417-423 doi:10.1021/ja00002a006
Plain TextKrogh-Jespersen, Karsten (1991) Ab initio electronic structure calculations on the benzene dication and other C6H62+ isomers. Journal Of The American Chemical Society, 113 (2) 417-423 doi:10.1021/ja00002a006
In(1991, January) Journal Of The American Chemical Society Vol. 113 (2) American Chemical Society (ACS)

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Krogh-Jespersen, Karsten, Yan, Shunqi, Moss, Robert A. (1999) Ab Initio Electronic Structure Calculations on Chlorocarbene−Ethylene and Chlorocarbene−Benzene Complexes. Journal Of The American Chemical Society, 121 (26) 6269-6274 doi:10.1021/ja990148m
Krogh-Jespersen, Karsten, Westbrook, John D., Potenza, Joseph A., Schugar, Harvey J. (1987) Molecular and electronic structure of (L-histidinato)pentammineruthenium(III) chloride monohydrate, (H3N)5RuIII(his)Cl3·H2O. X-ray structure, single-crystal polarized charge-transfer spectra, and ab initio and semiempirical molecular orbital calculations. Journal Of The American Chemical Society, 109 (23) 7025-7031 doi:10.1021/ja00257a020
Cioslowski, Jerzy, Fleischmann, Eugene D. (1991) Assessing molecular similarity from results of ab initio electronic structure calculations. Journal Of The American Chemical Society, 113 (1) 64-67 doi:10.1021/ja00001a012
Ding, Yanbo, Krogh-Jespersen, Karsten (1992) The glycine zwitterion does not exist in the gas phase: results from a detailed ab initio electronic structure study. Chemical Physics Letters, 199. 261-266 doi:10.1016/0009-2614(92)80116-s
Budzelaar, Peter H. M., Krogh-Jespersen, Karsten, Clark, Timothy, Schleyer, Paul v. R. (1985) Remarkable structures of C2B2H4 isomers. Journal Of The American Chemical Society, 107 (9) 2773-2779 doi:10.1021/ja00295a033
Galasso, V. (1993) Ab initio calculations on the one- and two-photon electronic transitions of the conjugated isomers of benzene. Chemical Physics, 171. 171-178 doi:10.1016/0301-0104(93)85141-t
Abu-Hasanayn, Faraj, Krogh-Jespersen, Karsten, Goldman, Alan S. (1993) Factors influencing the thermodynamics of molecular hydrogen oxidation addition to Vaska-type complexes (trans-Ir(PR3)2(CO)X): predictions from ab initio calculations and experimental verification. Inorganic Chemistry, 32 (5) 495-496 doi:10.1021/ic00057a002
Ding, Yanbo, Krogh-Jespersen, Karsten (1996) The 1:1 glycine zwitterion-water complex: Anab initio electronic structure study. Journal of Computational Chemistry, 17 (3). 338-349 doi:10.1002/(sici)1096-987x(199602)17:3<338::aid-jcc8>3.0.co;2-w
Bernarducci, Ernest, Bharadwaj, Parimal K., Krogh-Jespersen, Karsten, Potenza, Joseph A., Schugar, Harvey J. (1983) Electronic structure of alkylated imidazoles and electronic spectra of tetrakis(imidazole)copper(II) complexes. Molecular structure of tetrakis(1,4,5-trimethylimidazole)copper(II) diperchlorate. Journal Of The American Chemical Society, 105 (12) 3860-3866 doi:10.1021/ja00350a021
Wang, Lei, Moss, Robert A., Krogh-Jespersen, Karsten (2012) Directly Observed Halocarbene–Halocarbanion Equilibration. Journal Of The American Chemical Society, 134 (42) 17459-17461 doi:10.1021/ja308779w
Moss, Robert A., Xue, Song, Liu, Weiguo, Krogh-Jespersen, Karsten (1996) Reactions and Reactivity of Acyloxycarbenes. Journal Of The American Chemical Society, 118 (50) 12588-12597 doi:10.1021/ja9626244
 
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