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Griffin, Lawrence L., McAdoo, David J., Olivella, Santiago (1993) Evaluation of AM1-calculated radical cation ion-neutral complexes. Journal of Computational Chemistry, 14 (12). 1561-1574 doi:10.1002/jcc.540141219

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Reference TypeJournal (article/letter/editorial)
TitleEvaluation of AM1-calculated radical cation ion-neutral complexes
JournalJournal of Computational Chemistry
AuthorsGriffin, Lawrence L.Author
McAdoo, David J.Author
Olivella, SantiagoAuthor
Year1993 (December)Volume14
Issue12
PublisherWiley
DOIdoi:10.1002/jcc.540141219Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3146034Long-form Identifiermindat:1:5:3146034:3
GUID0
Full ReferenceGriffin, Lawrence L., McAdoo, David J., Olivella, Santiago (1993) Evaluation of AM1-calculated radical cation ion-neutral complexes. Journal of Computational Chemistry, 14 (12). 1561-1574 doi:10.1002/jcc.540141219
Plain TextGriffin, Lawrence L., McAdoo, David J., Olivella, Santiago (1993) Evaluation of AM1-calculated radical cation ion-neutral complexes. Journal of Computational Chemistry, 14 (12). 1561-1574 doi:10.1002/jcc.540141219
In(1993, December) Journal of Computational Chemistry Vol. 14 (12) Wiley

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Olivella, Santiago, Urpi, Felix, Vilarrasa, Jaume (1984) Evaluation ofMNDO calculated proton affinities. Journal of Computational Chemistry, 5 (3). 230-236 doi:10.1002/jcc.540050304
Olivella, Santiago, Sole, Albert, McAdoo, David J., Griffin, Lawrence L. (1995) Unimolecular Decompositions of Ionized Isopropyl Methyl Ether: An ab Initio and RRKM Study. Journal Of The American Chemical Society, 117 (9) 2557-2564 doi:10.1021/ja00114a019
McAdoo, David J., Hudson, Charles E., Skyiepal, Mark, Broido, Ellen, Griffin, Lawrence L. (1987) Ion-neutral complexes as intermediates in the decompositions of C5H10O2.cntdot.+ isomers. Journal Of The American Chemical Society, 109 (25) 7648-7653 doi:10.1021/ja00259a012
Olivella, Santiago, Solé, Albert, McAdoo, David J. (1996) Methane Elimination from Ionized Propane through an Ion−Neutral Complex:  An ab Initio Study. Journal Of The American Chemical Society, 118 (39) 9368-9376 doi:10.1021/ja9606283
Olivella, Santiago, Sole, Albert, McAdoo, David J., Griffin, Lawrence L. (1994) Unimolecular Reactions of Ionized Alkanes: Theoretical Study of the Potential Energy Surface for CH3.bul. and CH4 Losses from Ionized Butane and Isobutane. Journal Of The American Chemical Society, 116 (24) 11078-11088 doi:10.1021/ja00103a025
McAdoo, David J., Olivella, Santiago, Solé, Albert (1998) Theoretical Analysis of the Unimolecular Gas-Phase Decompositions of the Propane Molecular Ion. The Journal of Physical Chemistry A, 102 (52). 10798-10804 doi:10.1021/jp982856k
Dixon, Steven L., Jurs, Peter C. (1993) Estimation of pKa for organic oxyacids using calculated atomic charges. Journal of Computational Chemistry, 14 (12). 1460-1467 doi:10.1002/jcc.540141208
Olivella, Santiago, Salvador, Jos� (1991) The half-projected Hartree-Fock model for computing thermally ?forbidden? pericyclic reactions. Journal of Computational Chemistry, 12 (7). 792-802 doi:10.1002/jcc.540120704
(1993) Masthead. Journal of Computational Chemistry, 14 (12). doi:10.1002/jcc.540141201
Kass, Steven R. (1990) Hydrocarbon acidities calculated with MINDO/3, MNDO, and AM1. Journal of Computational Chemistry, 11 (1). 94-104 doi:10.1002/jcc.540110112
McAdoo, David J. (1988) Ion-neutral complexes in unimolecular decompositions. Mass Spectrometry Reviews, 7 (4). 363-393 doi:10.1002/mas.1280070402
 
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