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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
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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
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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
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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
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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
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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
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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
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