Publications by authors named "Otto Exner"

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D
Does 2-methylacetophenone comply with steric inhibition of resonance? A direct experimental proof of its nonplanar conformation from a joint ab initio/electron diffraction analysis.
Drahomír Hnyk, Svein Samdal, Otto Exner, Derek A Wann, David W H Rankin

J Org Chem· August 2010

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Interaction of two functional groups through the benzene ring: theory and experiment.
Stanislav Böhm, Otto Exner

J Comput Chem· May 2009

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Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide.
Haydée Valdés, Vojtech Klusák, Michal Pitonák, Otto Exner, Ivo Starý

J Comput Chem· April 2008

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Steric effects of polar substituents evaluated in terms of energy by means of isodesmic reactions.
Stanislav Böhm, Otto Exner

Org Biomol Chem· March 2008

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Inductive effects in radicals calculated from DFT energies; substituted bicyclo[2.2.2]octan-1-yloxy radicals.
Stanislav Böhm, Otto Exner

J Comput Chem· August 2007

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Steric effects of the alkyl groups: evaluation on isolated molecules by means of isodesmic reactions.
Stanislav Böhm, Otto Exner

Org Biomol Chem· July 2007

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15N NMR chemical shifts of ring substituted benzonitriles.
Petr Zácek, Alk Dransfeld, Otto Exner, Jan Schraml

Magn Reson Chem· December 2006

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Acidity of ortho-substituted benzoic acids: an infrared and theoretical study of the intramolecular hydrogen bonds.
Pavel Fiedler, Stanislav Böhm, Jirí Kulhánek, Otto Exner

Org Biomol Chem· May 2006

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Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acids.
Stanislav Böhm, Otto Exner

J Comput Chem· April 2006

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Ring-substituted benzohydroxamic acids: 1H, 13C and 15N NMR spectra and NH-OH proton exchange.
Jan Schraml, Marcela Tkadlecová, Statis Pataridis, Ludmila Soukupová, Vratislav Blechta, Otto Exner

Magn Reson Chem· July 2005

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Protonated nitro group: structure, energy and conjugation.
Otto Exner, Stanislav Böhm

Org Biomol Chem· May 2005

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Enthalpies of formation of monoderivatives of hydrocarbons: Interaction of polar groups with an alkyl group.
Otto Exner, Stanislav Böhm

J Comput Chem· December 2004

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13C and 1H nuclear magnetic resonance of methyl-substituted acetophenones and methyl benzoates: steric hindrance and inhibited conjugation.
Milos Budesínský, Jirí Kulhánek, Stanislav Böhm, Petr Cigler, Otto Exner

Magn Reson Chem· October 2004

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N,O-diacylhydroxylamines-structures in crystals and solutions.
Jan Schraml, Jan Sýkora, Pavel Fiedler, Jana Roithová, Jaromír Mindl, Otto Exner

Org Biomol Chem· August 2004

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Geometry at the aliphatic tertiary carbon atom: computational and experimental test of the Walsh rule.
Stanislav Böhm, Otto Exner

Acta Crystallogr B· February 2004

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Electrostatic calculation of the substituent effect: an efficient test on isolated molecules.
Otto Exner, Stanislav Böhm

Chemistry· October 2003

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A
Acidity of hydroxamic acids and amides.
Stanislav Böhm, Otto Exner

Org Biomol Chem· April 2003

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Inductive effects in isolated molecules: 4-substituted bicyclo[2.2.2]octane-1-carboxylic acids.
Otto Exner, Stanislav Böhm

Chemistry· November 2002

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Bond angles and bond lengths in monosubstituted benzene and ethene derivatives: a comparison of computational and crystallographic results.
Otto Exner, Stanislav Böhm

Acta Crystallogr B· October 2002

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Background of the Hammett equation as observed for isolated molecules: meta- and para-substituted benzoic acids.
Otto Exner, Stanislav Böhm

J Org Chem· September 2002

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Conformation and Steric Effects in Mono- and Dimethoxybenzoic Acids.
Otto Exner, Pavel Fiedler, Milos Budesínský, Jirí Kulhánek

J Org Chem· May 1999

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