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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

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Reference TypeJournal (article/letter/editorial)
TitleMethane Elimination from Ionized Propane through an Ion−Neutral Complex:  An ab Initio Study
JournalJournal Of The American Chemical Society
AuthorsOlivella, SantiagoAuthor
Solé, AlbertAuthor
McAdoo, David J.Author
Year1996 (January)Volume118
Issue39
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja9606283Search in ResearchGate
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Mindat Ref. ID1507075Long-form Identifiermindat:1:5:1507075:1
GUID0
Full ReferenceOlivella, 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
Plain TextOlivella, 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
In(1996, January) Journal Of The American Chemical Society Vol. 118 (39) American Chemical Society (ACS)

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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., 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
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
Ahmed, Mohammed S., Hudson, Charles E., Traeger, John C., Giam, C. S., McAdoo, David J. (1990) ROH2+ Formation from ionized n-hexyl ethers: an unequivocal dissociation through an ion-neutral complex in the gas phase. Journal Of The American Chemical Society, 112 (17) 6443-6445 doi:10.1021/ja00173a068
Hudson, Charles E., McAdoo, David J. (1996) Ab initio characterization of ring-opening H-Transfer in ionized cyclopentanone: Similarity to ion-neutral complex-mediated alkane eliminations. Journal of the American Society for Mass Spectrometry, 7 (12). 1251-1254 doi:10.1016/s1044-0305(96)00103-1
Olivella, Santiago., Pericas, Miquel A., Riera, Antoni., Sole, Albert. (1986) Small-ring cyclic alkynes: ab initio molecular orbital study of cyclopentyne. Journal Of The American Chemical Society, 108 (22) 6884-6888 doi:10.1021/ja00282a007
Caballol, Rosa, Poblet, Josep M., Sarasa, Jose Pedro, Olivella, Santiago, Sole, Albert (1988) Unimolecular reactions of the enolic tautomer of ionized acetic acid in the gas phase: an ab initio and RRKM study. The Journal of Physical Chemistry, 92 (12). 3336-3341 doi:10.1021/j100323a007
Anglada, Josep M., Bofill, Josep M., Olivella, Santiago, Solé, Albert (1996) Unimolecular Isomerizations and Oxygen Atom Loss in Formaldehyde and Acetaldehyde Carbonyl Oxides. A Theoretical Investigation. Journal Of The American Chemical Society, 118 (19) 4636-4647 doi:10.1021/ja953858a
Mulhearn, Debbie C., Bachrach, Steven M. (1996) Selective Nucleophilic Attack of Trisulfides. An ab Initio Study. Journal Of The American Chemical Society, 118 (39) 9415-9421 doi:10.1021/ja9620090
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
Hudson, Charles E., DeLeon, Liberty, Alstyne, Don, McAdoo, David J. (1994) Elimination of methane from protonated acetaldehyde: The Ab initio transition state. Journal of the American Society for Mass Spectrometry, 5 (12). 1102-1106 doi:10.1016/1044-0305(94)85071-2
 
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