Browsing by Author Laali, KK

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A theoretical (DFT, GIAO-NMR, NICS) study of the carbocations and oxidation dications from azulenes, homoazulene, benzazulenes, benzohomoazulenes, and the isomeric azulenoazulenes
  Okazaki, T; Laali, KK (2003)
  ORGANIC & BIOMOLECULAR CHEMISTRY, 1(17): 3078-3093
beta-silyl-substituted silaadamantyl, silabicyclo[2.2.2]octyl, silanorbornyl, and 1-silacyclohexyl cations. A theoretical (DFT and GIAO NMR) study
  Okazaki, T; Laali, KK (2003)
  JOURNAL OF ORGANIC CHEMISTRY, 68(5): 1827-1833
Carbocations (M+H)(+) and oxidation dications (M2+) from benzo[alpha]pyrene and its nonalternant isomers azulenophenalenes: A theoretical (DFT, GIAO, NICS) study
  Okazaki, T; Laali, KK (2004)
  JOURNAL OF ORGANIC CHEMISTRY, 69(2): 510-516
Electrophilic and oxidative chemistry of pyrene and its non-alternant isomers: theoretical (DFT, GIAO-NMR, NICS) study of protonation carbocations and oxidation dications from pyrene, azupyrene (dicyclopenta[ef,kl]heptalene) and dicyclohepta[ed,gh]pentalene
  Okazaki, T; Laali, KK (2004)
  ORGANIC & BIOMOLECULAR CHEMISTRY, 2(15): 2214-2219
Intermediates of halogen addition to phenylethynes and protonation of phenylethynyl halides. Open halovinyl cations, bridged halonium, or phenyl-bridged ions: A substituent effect study by DFT and GIAO- DFT
  Okazaki, T; Laali, KK (2006)
  JOURNAL OF ORGANIC CHEMISTRY, 71(26): 9643-9650
Novel examples of three-dimensional aromaticity: 1,3-dehydro-silaadamantane dications. A theoretical (DFT, GIAO NMR, NICS) study
  Okazaki, T; Galembeck, SE; Laali, KK (2002)
  JOURNAL OF ORGANIC CHEMISTRY, 67(25): 8721-8725
Probing the intermediates of halogen addition to alkynes: Bridged halonium versus open halovinyl cation; A theoretical study
  Okazaki, T; Laali, KK (2005)
  JOURNAL OF ORGANIC CHEMISTRY, 70(23): 9139-9146
Protonation studies on epimeric homoallylic adamantylidene-adamantyl alcohols, 4-methyleneadamantylideneadamantane, adamantylideneadamantane (Ad=Ad) and sesquihomoadamantene, and reaction of Ad=Ad and sesquihomoadamantene with NO2+BF4- and PhI(OH)OTs: a stable-ion NMR and theoretical (GIAO-NMR) study
  Laali, KK; Okazaki, T; Takeuchi, K; Ogawa, K; Bennet, AJ (2002)
  JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 6: 1105-1111
Theoretical (DFT, GIAO-NMR, NICS) study of carbocations (M+H)(+), dications (M2+) and dianions (M2-) from dihydro-dicyclopenta[ef,kl]heptalene (dihydro-azupyrene), dihydro-dicyclohepta[ed,gh]pentalene, and related bridged [14]annulenes
  Okazaki, T; Laali, KK (2005)
  ORGANIC & BIOMOLECULAR CHEMISTRY, 3(2): 286-294
Transannular pi-pi interactions in janusenes and in related rigid systems with cofacial aromatic rings; gauging aromaticity in the hydrocarbons and in model carbocations; a DFT study
  Okazaki, T; Laali, KK (2006)
  ORGANIC & BIOMOLECULAR CHEMISTRY, 4(16): 3085-3095