Collect. Czech. Chem. Commun. 1980, 45, 1056-1064
https://doi.org/10.1135/cccc19801056

Quantum-chemical study of substituent effects in meta and para substituted phenyl isothiocyanates in π-electronic approximation

Ivan Danihela, Pavol Kristiana, Josef Kuthanb and Mária Minčíkováa

a Department of Organic Chemistry and Biochemistry, Šafárik University, 041 67 Košice
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6

Individual author index pages


Other CCCC articles of these authors

  • Ladislav Janovec, Stanislav Böhm, Ivan Danihel, Ján Imrich*, Pavol Kristian and Karel D. Klika
    Theoretical Confirmation of the Reaction Mechanism Leading to Regioselective Formation of Thiazolidin-4-one from Bromoacetic Acid Derivatives
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  • Jana Tomaščiková, Ján Imrich*, Ivan Danihel, Stanislav Böhm and Pavol Kristian
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    2007, Vol. 72, Issue 3, pp. 347–362 [Abstract]
  • Jiří Kroulík*, Jan Čejka, Petr Sedmera, Alexandr Jegorov, Bohumil Kratochvíl and Josef Kuthan
    Rearrangement of Substituted 2,4,4,6-Tetraaryl-4H-thiopyrans to Triaryl-3aH-benzo[3,4]cyclopenta[1,2-b]thiophene
    2004, Vol. 69, Issue 8, pp. 1631–1642 [Abstract]
  • Juraj Bernát, Eva Balentová, Pavol Kristian*, Ján Imrich, Erik Sedlák, Ivan Danihel, Stanislav Böhm, Naďa Prónayová, Kalevi Pihlaja and Karel D. Klika
    Methylation of Acridin-9-ylthioureas. Structure, Fluorescence and Biological Properties of Products
    2004, Vol. 69, Issue 4, pp. 833–849 [Abstract]
  • Ladislav Janovec, Gejza Suchár, Ján Imrich, Pavol Kristian*, Vlasta Sasinková, Juraj Alföldi and Erik Sedlák
    9-Isothiocyanatoanthracene as a Versatile Starting Compound in the Chemistry of Anthracen-9-yl Derivatives
    2002, Vol. 67, Issue 5, pp. 665–678 [Abstract]
  • Radek Pohl, Jan Sýkora, Petr Maloň, Stanislav Böhm*, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. XIII. An Insight Into the Absolute Stereochemistry of Atropisomeric (Z)-3-(Imidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ones
    2000, Vol. 65, Issue 10, pp. 1643–1652 [Abstract]
  • Robert Klvaňa, Radek Pohl, Jan Pawlas, Jan Čejka, Hana Dvořáková, Richard Hrabal, Stanislav Böhm*, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. XII. Atropisomerism of (1-Aryl-3,5-diphenyl-1H-pyrrol-2-yl)(phenyl)methanones
    2000, Vol. 65, Issue 5, pp. 651–666 [Abstract]
  • Stanislav Böhm*, Radek Pohl and Josef Kuthan
    Sterically Crowded Heterocycles. XI. A Semiempirical Prediction of Enantiomerization Barriers for Substituted (Z)-3-(Imidazo[1,2-a]pyridin-3-yl)-1-phenylprop-2-en-1-ones
    1999, Vol. 64, Issue 11, pp. 1761–1769 [Abstract]
  • Radek Pohl, Stanislav Böhm and Josef Kuthan*
    Sterically Crowded Heterocycles. X. A New Mechanistic Approach to the Ferricyanide Oxidation of 4,6'-Disubstituted 1-(Pyridin-2'-yl)-2,6-diphenylpyridinium Salts
    1999, Vol. 64, Issue 8, pp. 1274–1294 [Abstract]
  • Jiří Kroulík, Martin Chadim, Miroslav Polášek, Stanislav Nešpůrek and Josef Kuthan
    Synthesis of Some New Functionalized 2,4,4,6-Tetraphenyl-4H-thiopyrans and Study on Their Photocolouration
    1998, Vol. 63, Issue 5, pp. 662–680 [Abstract]
  • Ivan Danihel, Kalevi Pihlaja, Ján Imrich, Gejza Suchár, Pavol Kristian, Stanislav Böhm and Slávka Hočová
    Configuration and Conformation Study of S-Allyl O-Methyl N-(2- and 4-Substituted Acridin-9-yl)thiocarbonimidates in Relation to Their [3,3] Sigmatropic Rearrangement
    1998, Vol. 63, Issue 3, pp. 387–393 [Abstract]
  • Stanislav Böhm, Tomáš Strnad, Iveta Ruppertová and Josef Kuthan
    Sterically Crowded Heterocycles. IX. New α,β-Unsaturated Ketones Containing Imidazo[1,2-a]quinoline, Imidazo[2,1-a]isoquinoline, Benzo[h]imidazo[1,2-a]quinoline and Imidazo[1,2-a]-1,10-phenanthroline Moieties
    1997, Vol. 62, Issue 10, pp. 1599–1611 [Abstract]
  • Juraj Bernát, Pavol Kristian, Jana Guspanová, Ján Imrich and Tatiana Bušová
    A Convenient One-Pot Synthesis of α-Isothiocyanatoethers and Unusual Course of Some of Its Nucleophilic Displacement Reactions
    1997, Vol. 62, Issue 9, pp. 1491–1496 [Abstract]
  • Ali Werfeli, Jan Čejka, Ondřej Klecán, Bohumil Kratochvíl and Josef Kuthan
    Preparation of New Optically Active Furanoids Containing Various Aza-Heterocyclic Moieties
    1997, Vol. 62, Issue 6, pp. 894–912 [Abstract]
  • Oľga Hritzová, Gejza Suchár, Ivan Danihel and Peter Kutschy
    Solvent Effect on the Structure and Infrared Spectra of N-(3-Chloro-2-benzo[b]thienocarbonyl)-N'-ethylthiourea
    1996, Vol. 61, Issue 11, pp. 1620–1626 [Abstract]
  • Ivan Danihel, Gejza Suchár, Pavol Kristian and Stanislav Böhm
    Dipole Moments of 2- and 4-Substituted 9-Isothiocyanatoacridines
    1996, Vol. 61, Issue 11, pp. 1615–1619 [Abstract]
  • Richard Kubík, Stanislav Böhm, Jan Čejka, Vladimír Havlíček, Tomáš Strnad, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. VIII. Preparative Photoisomerization of Some Imidazo[1,2-a]pyridines
    1996, Vol. 61, Issue 10, pp. 1473–1488 [Abstract]
  • Jan Čejka, Richard Kubík, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. VI. Relative Configuration of Diastereoisomeric (Z)-1,3-Diphenyl-3-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ols
    1996, Vol. 61, Issue 9, pp. 1380–1385 [Abstract]
  • Ali Werfeli, Svatava Voltrová, Viktor Prutianov and Josef Kuthan
    Optically Active Furanoids Containing Cytosine-, Adenine- and Nicotinamide-Like Moieties
    1996, Vol. 61, Issue 8, pp. 1223–1232 [Abstract]
  • Richard Kubík, Stanislav Böhm and Josef Kuthan
    Sterically Crowded Heterocycles. VII. Reduction of Some (Z)-1,3-Diphenyl-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ones as Their Axial Chirality Probe
    1996, Vol. 61, Issue 7, pp. 1018–1026 [Abstract]
  • Richard Kubík and Josef Kuthan
    Sterically Crowded Heterocycles. V. Incorporation of Melamine and Adenine Moieties into Imidazo[1,2]heteroaromatic Molecules
    1996, Vol. 61, Issue 5, pp. 770–773 [Abstract]
  • Richard Kubík and Josef Kuthan
    Sterically Crowded Heterocycles. IV. Diastereoisomeric Products by Ferricyanide Oxidation of Quaternary Pyridinium Salts
    1996, Vol. 61, Issue 4, pp. 615–621 [Abstract]
  • Stanislav Böhm, Iveta Ruppertová, Vladimír Havlíček and Josef Kuthan
    On Some 2,4,6-Triphenylpyridinium 2-Benzimidazolate Inner Salts
    1996, Vol. 61, Issue 4, pp. 597–604 [Abstract]
  • Ján Imrich, Juraj Bernát, Pavol Kristian, Tatiana Bušová and Slávka Hočová
    Reaction of O-Alkyl-N-substituted Iminothiocarbonates with Bromoacetyl Bromide. A General Method for the Synthesis of 3-Substituted 1,3-Thiazolidine-2,4-diones
    1996, Vol. 61, Issue 3, pp. 432–436 [Abstract]
  • Richard Kubík, Stanislav Böhm, Iveta Ruppertová and Josef Kuthan
    Sterically Crowded Heterocycles. III. A General Approach to Imidazo[1,2-a]pyridines by Ferricyanide Oxidation of Quaternary Pyridinium Salts
    1996, Vol. 61, Issue 1, pp. 126–138 [Abstract]
  • Stanislav Böhm, Mojmír Adamec, Stanislav Nešpůrek and Josef Kuthan
    Photocolouration of 2,4,4,6-Tetraaryl-4H-pyrans and Their Heteroanalogues: Importance of Hypervalent Photoisomers
    1995, Vol. 60, Issue 10, pp. 1621–1633 [Abstract]
  • Gejza Suchár and Ivan Danihel
    Dipole Moments of para-Substituted N-Phenylsulfonyl-N'-Allylthioureas
    1995, Vol. 60, Issue 5, pp. 856–862 [Abstract]
  • Stanislav Böhm, Richard Kubík, Martin Hradilek, Jan Němeček, Michal Hušák, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. II. Conformational Structure of 2-Phenyl-3-[(Z)-1,3-diphenyl-3-oxopropenyl]imidazo[1,2-a]pyridine and Related Compounds
    1995, Vol. 60, Issue 1, pp. 115–126 [Abstract]
  • Stanislav Böhm, Richard Kubík, Martin Hradilek, Jan Němeček, Michal Hušák, Svetlana Pakhomova, Jan Ondráček, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. I. Molecular Structure of 3-Chain Substituted 2-Phenylimidazo[1,2-a]pyridinium Salts
    1994, Vol. 59, Issue 12, pp. 2677–2690 [Abstract]
  • Dana Mazagová, Pavol Kristian, Gejza Suchár, Ján Imrich and Marián Antalík
    Kinetics of Reactions of 9-Isothiocyanatoacridine with Aromatic and Aliphatic Amines and Fluorescence Properties of the 1-Acridin-9-yl-3-alkyl(aryl)thioureas Obtained
    1994, Vol. 59, Issue 12, pp. 2632–2640 [Abstract]
  • Pavel Šebek, Jiří Kroulík, Petr Sedmera, Vladimír Havlíček and Josef Kuthan
    Reactions of 2,4,4,6-Tetraaryl-4H-thiopyrans with Chlorine: An Unusual Reaction Route
    1994, Vol. 59, Issue 10, pp. 2269–2281 [Abstract]
  • Ivan Danihel, Ján Imrich, Pavol Kristian, Tibor Liptaj and Dana Mazagová
    An Analysis of Substituent Effects on the Proton and Carbon-13 Chemical Shifts of 2-Substituted 9-Isothiocyanatoacridines
    1994, Vol. 59, Issue 8, pp. 1833–1840 [Abstract]
  • Danica Sabolová, Dana Mazagová, Pavol Kristian, Marián Antalík, Dušan Podhradský and Ján Imrich
    Fluorescence Reagents for Labelling of Biomolecules. Part III. Study of the Reactions of 2- and 4-Substituted 9-Isothiocyanatoacridines with Glycine
    1994, Vol. 59, Issue 7, pp. 1682–1690 [Abstract]
  • Marcel Török, Milan Dzurilla, Peter Kutschy, Ján Imrich, Ivan Danihel, Paul Rademacher and Heinz Bandmann
    Cyclohexylideneacetyl Isothiocyanate. Precursor for the Synthesis of 1,3-Thiazaspirocycloalkanes and 1,3-Diazaspirocycloalkanes
    1994, Vol. 59, Issue 5, pp. 1203–1210 [Abstract]
  • Stanislav Böhm, Pavel Šebek, Stanislav Nešpůrek and Josef Kuthan
    Photocolouration of 2,4,4,6-Tetraaryl-4H-thiopyrans: A Semiempirical Quantum Chemical Study
    1994, Vol. 59, Issue 5, pp. 1115–1125 [Abstract]
  • Stanislav Böhm, Michal Hocek, Jan Němeček, Vladimír Havlíček and Josef Kuthan
    Preparation and Spectroscopic Properties of Spirocyclic 1-Methyl-2,4,4,6-tetraaryl-1,4-dihydropyridines
    1994, Vol. 59, Issue 5, pp. 1105–1114 [Abstract]
  • Stanislav Böhm, Michal Hocek, Stanislav Nešpůrek and Josef Kuthan
    Photocolouration of 2,4,4,6-Tetraaryl-1,4-dihydropyridines: A Semiempirical Quantum Chemical Study
    1994, Vol. 59, Issue 2, pp. 262–272 [Abstract]
  • Dušan Podhradský, Peter Oravec, Marián Antalík and Pavol Kristian
    Fluorescence Reagents for Labelling of Biomolecules. Part II. Reactions of 9-Isothiocyanatoacridine with Amino Acids
    1994, Vol. 59, Issue 1, pp. 213–221 [Abstract]
  • Dana Mazagová, Danica Sabolová, Pavol Kristian, Ján Imrich, Marián Antalík and Dušan Podhradský
    Fluorescence Reagents for Labelling of Biomolecules. Part I. Synthesis and Spectral Characterization of 2- and 4-Substituted 9-Isothiocyanatoacridines
    1994, Vol. 59, Issue 1, pp. 203–212 [Abstract]
  • Pavel Šebek, Petr Sedmera, Stanislav Böhm and Josef Kuthan
    Sigmatropic Isomerization of Tetraphenylcyclopentadienes: Reaction Mechanism and Quantum Chemical Treatment
    1993, Vol. 58, Issue 4, pp. 882–892 [Abstract]
  • Pavel Šebek, Petr Sedmera and Josef Kuthan
    Photochemical Transformations of 2,4,4,6-Tetraphenyl-4H-thiopyran-1,1-dioxide and Some Its para-Substituted Derivatives
    1993, Vol. 58, Issue 4, pp. 869–881 [Abstract]
  • Ivan Danihel and Gejza Suchár
    Dipole Moments of meta and para Substituted Benzoyl Isothiocyanates
    1993, Vol. 58, Issue 2, pp. 378–384 [Abstract]
  • Pavel Šebek, Jiří Novotný, Bohumil Kratochvíl, Marián Schwarz and Josef Kuthan
    Conformation Dependent Cyclizations of 1,3,3,5-Tetraphenylpentane-1,5-dione
    1992, Vol. 57, Issue 11, pp. 2383–2399 [Abstract]
  • Stanislav Böhm, Richard Kubík, Jan Němeček and Josef Kuthan
    Oxidative and Basic Transformations of Some 1-Heteroaryloligophenylpyridinium Salts. Limitations to the Applicability of Ferricyanide Oxidation
    1992, Vol. 57, Issue 8, pp. 1672–1683 [Abstract]
  • Marián Schwarz, Pavel Šebek and Josef Kuthan
    Electrophilic 3,5-Substitution of 2,4,4,6-Tetraphenyl-4H-pyran and Some of Its 1-Heteroanalogues
    1992, Vol. 57, Issue 3, pp. 546–555 [Abstract]
  • Stanislav Böhm, Richard Kubík, Jiří Novotný, Jan Ondráček, Bohumil Kratochvíl and Josef Kuthan
    Reinvestigation of heterocyclic structures: Oxidation products from 1-substituted 2,4,6-triphenylpyridinium salts
    1991, Vol. 56, Issue 11, pp. 2326–2339 [Abstract]
  • Ivan Danihel, Falk Barnikol and Pavol Kristian
    Kinetics of reactions of para-substituted phenyl isocyanates with amines and alcohols
    1991, Vol. 56, Issue 8, pp. 1662–1670 [Abstract]
  • Antonín Kurfürst, Pavel Lhoták, Petr Nádeník, Františka Raclová-Pavlíková and Josef Kuthan
    2-(Biphenyl-4-yl)-5-phenyl-1,3,4-oxadiazole (PBD): Electrophilic 4’-substitution and following transformations
    1991, Vol. 56, Issue 7, pp. 1495–1504 [Abstract]
  • Antonín Kurfürst, Josef Kuthan, Pavel Lhoták, Petr Nádeník, Werner Schroth and Roland Spitzner
    4-(5-Phenyl-1,3,4-oxadiazol-2-yl)biphenyl-4'-carboxylic acid: Its functional derivatives and their heterocyclization into 1,3-thiazine-6-thiones
    1990, Vol. 55, Issue 11, pp. 2722–2730 [Abstract]
  • Jiří Krechl, Šárka Beranová, Věra Volkeová, Jiří Volke and Josef Kuthan
    Polarographic reduction of 1-benzyl-N-(p-X-phenyl)-3-aminocarbonylpyridinium salts
    1990, Vol. 55, Issue 8, pp. 2008–2018 [Abstract]
  • Jiří Krechl, Svatava Smrčková, Miroslav Ludwig and Josef Kuthan
    N,N'-diphenylacetamidinium carboxylates
    1990, Vol. 55, Issue 2, pp. 469–478 [Abstract]
  • Jiří Krechl, Svatava Smrčková and Josef Kuthan
    Benzamidinium benzoates
    1990, Vol. 55, Issue 2, pp. 460–468 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Quantum chemical prediction of 2H-pyran vibration spectrum
    1990, Vol. 55, Issue 1, pp. 10–20 [Abstract]
  • Jiří Krechl, Svatava Smrčková, Františka Pavlíková and Josef Kuthan
    p-Substituted benzamidinium carboxylates
    1989, Vol. 54, Issue 9, pp. 2415–2424 [Abstract]
  • Marián Schwarz and Josef Kuthan
    Reaction of organolithium compounds with 1-substituted 2,4,6-triphenylpyridinium perchlorates
    1989, Vol. 54, Issue 7, pp. 1880–1887 [Abstract]
  • Marián Schwarz and Josef Kuthan
    Alkylation of 2,4,4,6-tetraphenyl-1,4-dihydropyridine
    1989, Vol. 54, Issue 7, pp. 1870–1879 [Abstract]
  • Marián Schwarz, Petr Trška and Josef Kuthan
    NMR spectroscopic investigation of p-substituted 2,4,4,6-tetraphenyl-1,4-dihydropyridines and their oxa and thia analogues
    1989, Vol. 54, Issue 7, pp. 1854–1869 [Abstract]
  • Ivan Danihel, Falk Barnikol and Pavol Kristian
    Reinvestigation of dipole moments of para substituted phenyl isocyanates and determination of dipole moment of NCO group by optimization procedure
    1989, Vol. 54, Issue 6, pp. 1441–1445 [Abstract]
  • Gejza Suchár, Ivan Danihel and Antónia Jasovská
    Study of dipole moments of phenylsulphonyl isothiocyanates
    1989, Vol. 54, Issue 6, pp. 1437–1440 [Abstract]
  • Jiří Krechl, Stanislav Böhm and Josef Kuthan
    Electronic spectral properties of redox coenzyme pyrroloquinoline quinone: A CNDO-CI study
    1989, Vol. 54, Issue 5, pp. 1203–1208 [Abstract]
  • Jiří Krechl, Stanislav Böhm, Svatava Smrčková and Josef Kuthan
    Simple amidinium carboxylates - An MO treatment of molecular geometry and electronic structure
    1989, Vol. 54, Issue 3, pp. 673–683 [Abstract]
  • Antonín Kurfürst, Pavel Lhoták, Miroslav Petrů and Josef Kuthan
    Oligophenylene 2,4,6-triarylpyridines and analogous diaza-p-terphenyls, diaza-p-quaterphenyls and diaza-p-quinquephenyls with luminiscent activity
    1989, Vol. 54, Issue 2, pp. 462–472 [Abstract]
  • Stanislav Böhm, Hanuš Slavík and Josef Kuthan
    Ferricyanide oxidation of 1-substituted pentaphenylpyridinium salts. A novel route to 1-substituted 2,3,4,5-tetraphenylpyrroles
    1989, Vol. 54, Issue 1, pp. 200–205 [Abstract]
  • Jiří Krechl and Josef Kuthan
    An MO cavity model of enzyme catalysis: Semiempirical calculations of reaction courses of acetaldehyde reduction and ethanol oxidation by an NAD model
    1989, Vol. 54, Issue 1, pp. 1–17 [Abstract]
  • Jozef Gonda and Pavol Kristian
    3-pyridiniumindolyl-2-thiolates - New type of functionalized indoles
    1988, Vol. 53, Issue 8, pp. 1761–1769 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    A contribution to gas phase ionization of para-hydroxybenzoic acid: An LCAO-MO-SCF treatment
    1988, Vol. 53, Issue 4, pp. 665–670 [Abstract]
  • Jozef Gonda, Pavol Kristian and Ján Imrich
    2-Isothiocyanatobenzyltriphenylphosphonium bromides – new type of functionalized heterocumulenes suitable for synthesis of indole derivatives
    1987, Vol. 52, Issue 10, pp. 2508–2520 [Abstract]
  • Ivan Danihel, Pavol Kristian, Stanislav Böhm and Josef Kuthan
    A study of structure of meta and para substituted phenyl and benzoyl isothiocyanates by the MNDO method
    1987, Vol. 52, Issue 9, pp. 2115–2124 [Abstract]
  • Peter Kutschy, Milan Dzurilla, Dušan Koščík and Pavol Kristian
    An advantageous synthesis of S-(2-propenyl) N-acylmonothiocarbamates by [3,3]-sigmatropic rearrangement of O-(2-propenyl) N-acylmonothiocarbamates
    1987, Vol. 52, Issue 7, pp. 1764–1772 [Abstract]
  • Jiří Krechl, Daniela Mižaninová, Jiří Volke and Josef Kuthan
    Polarographic reduction of p–substituted 1-phenyl-3-aminocarbonylpyridinium salts
    1987, Vol. 52, Issue 6, pp. 1550–1560 [Abstract]
  • Stanislav Böhm, Renata Prantová, David Šaman, Petr Trška and Josef Kuthan
    Reaction of some nucleophiles with 2,6-di-tert-butylpyrylium perchlorate
    1987, Vol. 52, Issue 5, pp. 1305–1314 [Abstract]
  • Peter Kutschy, Pavol Kristian, Milan Dzurilla, Dušan Koščík and Róbert Nádaskay
    Selectivity of nucleophilic addition to and substitution at isothiocyanatocarbonyl group. Reactions of 4-pentinoyl- and 2-(2-propinyl)-4-pentinoyl isothiocyanate with amines and methanol
    1987, Vol. 52, Issue 4, pp. 995–1005 [Abstract]
  • Milan Dzurilla, Ondrej Forgáč, Peter Kutschy, Pavol Kristian, Dušan Koščík and Ján Imrich
    Synthesis of 1,3-diazaspiro[5,5]undecanes and 1-thia-3-azaspiro[5,5]undec-2-enes by reaction of 2-cyanocyclohexylideneacetyl isothiocyanate with amines and sodium hydrogen sulfide
    1987, Vol. 52, Issue 4, pp. 989–994 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    MO study of 2,2,4-trimethyl-2H-pyran, the simplest stable 2H-pyran derivative
    1987, Vol. 52, Issue 2, pp. 399–408 [Abstract]
  • Peter Kutschy, Ján Imrich, Juraj Bernát, Pavol Kristian, Oľga Hritzová and Thomas Schöffmann
    Photocyclization of N-(3-chloro-2-benzo[b]thienocarbonyl)-N'-monosubstituted thioureas
    1986, Vol. 51, Issue 12, pp. 2839–2847 [Abstract]
  • Jozef Gonda and Pavol Kristian
    2-Isothiocyanatobenzylpyridinium bromide - An intermediate for the synthesis of 2-arylamino-4H-benzo[d][1,3]thiazines
    1986, Vol. 51, Issue 12, pp. 2810–2816 [Abstract]
  • Jozef Gonda and Pavol Kristian
    Some nucleophilic reactions of 2-isothiocyanatobenzyl bromide. A new simple synthesis of 2-substituted 4H-benzo[d][1,3]thiazines
    1986, Vol. 51, Issue 12, pp. 2802–2809 [Abstract]
  • Peter Kutschy, Ján Imrich, Juraj Bernát, Pavol Kristian and Iveta Fedoriková
    A study of photocyclization of O-alkyl N-(3-chloro-2-benzo[b]thienocarbonyl)monothiocarbamates
    1986, Vol. 51, Issue 9, pp. 2002–2012 [Abstract]
  • Peter Kutschy, Milan Dzurilla, Ladislav Kniežo, Juraj Bernát, Ján Imrich, Pavol Kristian and Róbert Nádaskay
    Reactions of 3-butine-2-methyl-2-ol with isothiocyanates
    1986, Vol. 51, Issue 5, pp. 1119–1126 [Abstract]
  • Štefan Marchalín, Jan Fähnrich, Milan Popl and Josef Kuthan
    New organic luminophores on the basis of cyano- and dicyanopyridines
    1986, Vol. 51, Issue 5, pp. 1061–1070 [Abstract]
  • Jozef Gonda, Pavol Kristian and Ľubomír Mikler
    Synthesis of isothiocyanates from non-aromatic nitrogen-containing heterocycles
    1986, Vol. 51, Issue 1, pp. 112–117 [Abstract]
  • Hans-Jörg Hofmann, Christine Bartzsch, Cornelius Weiss and Josef Kuthan
    A MO treatment of solvent influence on the amide group rotation in 1-methylnicotinamides
    1985, Vol. 50, Issue 11, pp. 2438–2442 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Synthesis of 3,5-dicyano-4-phenyl-2,6-bis(4-p-terphenylyl)-1,4-dihydropyridine. An attempt at extending the Hantzsch synthesis
    1985, Vol. 50, Issue 9, pp. 1962–1970 [Abstract]
  • Štefan Marchalín, Václav Jehlička, Stanislav Böhm, Petr Trška and Josef Kuthan
    Molecular structure of para-substituted 3-aryl-2-arylmethylene-3-oxopropanenitriles in solution phase
    1985, Vol. 50, Issue 9, pp. 1935–1947 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Synthesis of cyano derivatives with diazaquaterphenyl skeleton
    1985, Vol. 50, Issue 8, pp. 1870–1877 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Cyclocondensation reactions of 3-aryl-2-benzylidene-3-oxopropanenitriles with acetylaromatic derivatives
    1985, Vol. 50, Issue 8, pp. 1862–1869 [Abstract]
  • Ivan Danihel, Ján Imrich, Dušan Košťík, Pavol Kristian and Gabriela Barančíková
    13C NMR spectra and substituent effects of meta and para substituted benzoyl isothiocyanates
    1985, Vol. 50, Issue 6, pp. 1422–1431 [Abstract]
  • Antonín Kurfürst and Josef Kuthan
    Reaction of 3,5-dicyano-2,4,4,6-tetramethyl-1,4-dihydropyridine with nitric acid
    1984, Vol. 49, Issue 11, pp. 2620–2627 [Abstract]
  • Gejza Suchár, Milan Dzurilla and Pavol Kristian
    A study of dipole moments of substituted isothiocyanates of 1,3-diphenyl-2-propen-1-one
    1984, Vol. 49, Issue 10, pp. 2382–2386 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    A new approach to 5H-pyrano[2,3-d]pyrimidine derivatives
    1984, Vol. 49, Issue 10, pp. 2309–2314 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Cyclocondensation reactions of 4-R-benzylidene-4-phenylbenzoylacetonitriles with cycloalkanones
    1984, Vol. 49, Issue 6, pp. 1395–1408 [Abstract]
  • Josef Kuthan, Jiří Krechl, Martin Bělohradský and Petr Trška
    Mechanism of 1-phenyl-1,4-dihydropyridine formation in reaction of 1-phenylpyridinum chloride with alkali metal alkoxides
    1984, Vol. 49, Issue 3, pp. 597–602 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidation of 1,2,3,4,6-substituted pyridinium salts with ferricyanide
    1984, Vol. 49, Issue 2, pp. 543–548 [Abstract]
  • Štefan Marchalín, Petr Trška and Josef Kuthan
    13C NMR and IR study of substitution effects and mass spectra of biphenyl analogues of α-cyanochalcones
    1984, Vol. 49, Issue 2, pp. 421–432 [Abstract]
  • Pavol Kristian and Jozef Gonda
    Synthesis of 2-(S-aryloxycarbonylthio)ethyl isothiocyanates - Analogues of natural mustard oils
    1984, Vol. 49, Issue 1, pp. 295–300 [Abstract]
  • Pavol Kristian, Dušan Koščík and Jozef Gonda
    Heterocycles with a pyrido[3,2-e]-1,3-selenazine and pyrido[3,4-e]-1,3-selenazine ring systems
    1983, Vol. 48, Issue 12, pp. 3567–3574 [Abstract]
  • Dušan Koščík, Pavol Kristian and Ondrej Forgáč
    Synthesis of 2-amino-5,7-dimethyl-4-oxopyrido[3,4-e]-1,3-thiazines
    1983, Vol. 48, Issue 12, pp. 3426–3432 [Abstract]
  • Dušan Koščík, Pavol Kristian, Jozef Gonda and Emília Dandárová
    New synthesis of 2-amino-4-oxopyrido[3,2-e]-1,3-thiazines and 1-alkyl(aryl)pyrido[3,2-e]-2-thiouracils
    1983, Vol. 48, Issue 11, pp. 3315–3328 [Abstract]
  • Petr Nesvadba, Petr Štrop and Josef Kuthan
    A new heterocyclic ring closure in ferricyanide oxidation of 2,4,6-triphenylpyridinium salts
    1983, Vol. 48, Issue 11, pp. 3307–3314 [Abstract]
  • Milan Dzurilla, Pavol Kristian, Ján Imrich and Juraj Štec
    Bromine oxidation of N-(3 or 4-substituted phenyl)-N'-3-phenylpropenoylthioureas
    1983, Vol. 48, Issue 11, pp. 3134–3139 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    The use of 4-R1-benzylidene-4-phenylbenzoylacetonitriles for synthesis of unsymmetrically substituted 3,5-dicyano-1,4-dihydropyridines and 2-amino-4H-pyrans
    1983, Vol. 48, Issue 11, pp. 3123–3129 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Synthesis and spectral properties of 4-substituted 2,6-bis-(4-biphenylyl)-3,5-dicyano-1,4-dihydropyridines
    1983, Vol. 48, Issue 11, pp. 3112–3122 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidative elimination of phenyl group from α position of quaternary quinolinium salts
    1983, Vol. 48, Issue 10, pp. 2965–2969 [Abstract]
  • Františka Pavlíková-Raclová and Josef Kuthan
    Polarographic reduction of 1-(p-substituted benzyl)-3-cyanopyridinium chlorides
    1983, Vol. 48, Issue 8, pp. 2273–2283 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    An ab initio MO study of conformation structure of nicotinamide and its derivatives
    1983, Vol. 48, Issue 7, pp. 1842–1853 [Abstract]
  • Antonín Kurfürst and Josef Kuthan
    Chemical transformations of nitromethyl group in 3,5-dicyano-1,4,4,6-tetramethyl-2-nitromethyl-1,4-dihydropyridine
    1983, Vol. 48, Issue 6, pp. 1718–1728 [Abstract]
  • Antonín Kurfürst and Josef Kuthan
    Quantum-chemical interpretation of electronic absorption spectra of the Hantzsch 1,4-dihydropyridines
    1983, Vol. 48, Issue 5, pp. 1422–1429 [Abstract]
  • Františka Pavlíková-Raclová and Josef Kuthan
    Substituent effect in electrochemical and ferricyanide oxidations of para-substituted 1-benzyl-3-carbamoyl-1,4-dihydropyridines
    1983, Vol. 48, Issue 5, pp. 1408–1421 [Abstract]
  • Františka Pavlíková-Raclová and Josef Kuthan
    Substituent effect in addition of cyanide ion to p-substituted 1-benzyl-3-carbamoylpyridinium chlorides
    1983, Vol. 48, Issue 5, pp. 1401–1407 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Optimization of molecular geometry of meta-substituted benzoic acids and their anions by gradient CNDO/2 method
    1983, Vol. 48, Issue 4, pp. 1019–1029 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    MO study of molecular and electronic structure of 2,2-dimethyl-2H-pyran and its acyclic valence isomers
    1983, Vol. 48, Issue 4, pp. 1007–1018 [Abstract]
  • Jaroslav Paleček, Manfred Pavlík and Josef Kuthan
    Chemical transformations of ethyl 3,5-dicyano-2,4,4,6-tetramethyl-1,4-dihydro-1-pyridyl acetate, sythesis of a new N-vinyl monomer
    1983, Vol. 48, Issue 2, pp. 617–622 [Abstract]
  • Jaroslav Paleček, Manfred Pavlík and Josef Kuthan
    N-alkylation of Hantzsch 1,4-dihydropyridines with esters of halogenocarboxylic acids
    1983, Vol. 48, Issue 2, pp. 608–616 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidative elimination of tert-butyl group from α position of quarternary pyridinium salts
    1983, Vol. 48, Issue 2, pp. 511–516 [Abstract]
  • Jiří Krechl and Josef Kuthan
    Molecular geometry of ribofuranoses obtained from semi-empirical MO calculations
    1983, Vol. 48, Issue 2, pp. 504–510 [Abstract]
  • Jiří Krechl and Josef Kuthan
    Semi-empirical MO study of refractions modelling biochemical oxidation of ethanol
    1983, Vol. 48, Issue 2, pp. 484–503 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Optimization of molecular geometry of para-substituted benzoic acids and their anions by means of gradient CNDO/2 method
    1982, Vol. 47, Issue 12, pp. 3393–3404 [Abstract]
  • Josef Kuthan, Jiří Krechl and Martin Bělohradský
    Preparation of 1-phenyldihydropyridines polydeuterated in their heterocyclic ring
    1982, Vol. 47, Issue 12, pp. 3283–3287 [Abstract]
  • Ján Imrich and Pavol Kristian
    Synthesis and investigation of enamine-imine tautomerism of 2,6-disubstituted 4H-1,3-thiazin-4-ones
    1982, Vol. 47, Issue 12, pp. 3268–3282 [Abstract]
  • Jiří Krechl, Stanislav Böhm and Josef Kuthan
    Quantum-chemical MO study of protonation of 1-methyl-1,4-dihydronicotinamide
    1982, Vol. 47, Issue 11, pp. 3044–3054 [Abstract]
  • Josef Kuthan and Františka Pavlíková-Raclová
    Polarographic reduction of p-substituted 1-benzyl-3-carbamoylpyridinium chlorides
    1982, Vol. 47, Issue 11, pp. 2890–2903 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    ab initio MO-SCF study of prototropic transformations of non-substituted dihydropyridines
    1982, Vol. 47, Issue 10, pp. 2735–2745 [Abstract]
  • Jiří Krechl and Josef Kuthan
    A CNDO/2 study of reactivity of methylene group in 1-methyl-1,4-dihydronicotinamide
    1982, Vol. 47, Issue 6, pp. 1621–1631 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidation of polysubstituted pyridinium salts
    1982, Vol. 47, Issue 5, pp. 1494–1502 [Abstract]
  • Dušan Ilavský and Josef Kuthan
    Electronic spectra of 2- and 4-substituted 3,5-dicyano-6-methylpyridines
    1981, Vol. 46, Issue 11, pp. 2687–2695 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Comparison of non-empirical and semiempirical SCF MO calculations of non-substituted dihydropyridines
    1981, Vol. 46, Issue 9, pp. 2068–2075 [Abstract]
  • Peter Kutschy, Pavol Kristian, Miloslava Dandárová and Jaroslav Kováč
    Synthesis and reactions of cis-3-(2-furyl)propenoyl isocyanate
    1981, Vol. 46, Issue 5, pp. 1160–1166 [Abstract]
  • Josef Kuthan and Stanislav Böhm
    MO study of molecular and electronic structure of 2H and 4H-pyrans
    1981, Vol. 46, Issue 3, pp. 759–771 [Abstract]
  • Josef Kuthan, Jaroslav Paleček and Jiří Valihrach
    Stable 2H-pyran derivatives accessible by cyclocondensation of p-substituted benzoylacetonitriles
    1981, Vol. 46, Issue 3, pp. 748–758 [Abstract]
  • Jiří Krechl and Josef Kuthan
    CNDO/2 study of interaction of 1-methyl-1,4-dihydronicotinamide and acetaldehyde
    1981, Vol. 46, Issue 3, pp. 740–747 [Abstract]
  • Ladislav Kniežo, Pavol Kristian, Miloš Buděšínský and Katarína Havrilová
    Stereochemical course of the reaction of 2-haloethyl isothiocyanates with nucleophiles. Stereospecific route to 4,5-disubstituted Δ2-thiazolines and thiazolidine-2-thiones
    1981, Vol. 46, Issue 3, pp. 717–728 [Abstract]
  • Peter Kutschy, Milan Dzurilla, Pavol Kristian and Kvetoslava Kutschyová
    Synthesis of 2-substituted 5-arylidenethiazolin-4-ones from α,β-unsaturated acyl isothiocyanates
    1981, Vol. 46, Issue 2, pp. 436–445 [Abstract]
  • Jaroslav Paleček, Jaroslav Kopecký and Josef Kuthan
    N-alkylation of 3,5-dicyano-2,4,4,6-tetramethyl-1,4-dihydropyridine with some α,ω-dihalogeno-N-alkenes
    1980, Vol. 45, Issue 12, pp. 3370–3377 [Abstract]
  • Milan Dzurilla, Pavol Kristian and Peter Kutschy
    Synthesis of 2-amino-6-substituted 5,6-dihydro-4H-1,3-thiazin-4-ones from α,β-unsaturated acyl isothiocyanates
    1980, Vol. 45, Issue 11, pp. 2958–2964 [Abstract]
  • Josef Kuthan, Antonín Kurfürst, Františka Raclová and Jiří Volke
    Polarographic reduction of 2-nitromethyl-4,4,6-trimethyl-3,5-dicyano-1,4-dihydropyridine and of its 4,4-spiroanalogues
    1980, Vol. 45, Issue 11, pp. 2938–2948 [Abstract]
  • Jiří Krechl and Josef Kuthan
    EHT study of reactivity of methylene group in 1-methyl-1,4-dihydronicotinamide
    1980, Vol. 45, Issue 9, pp. 2425–2432 [Abstract]
  • Ján Imrich, Pavol Kristian, Dušan Podhradský and Milan Dzurilla
    Kinetics of reactions of acyl isothiocyanates with amines
    1980, Vol. 45, Issue 8, pp. 2334–2342 [Abstract]
  • Ivan Danihel and Josef Kuthan
    Quantum-chemical study of dissociation of meta and para substituted benzoic acids at all-valence-electrons level
    1980, Vol. 45, Issue 8, pp. 2201–2214 [Abstract]
  • Jiří Krechl and Josef Kuthan
    On applicability of CNDO/S-ci method to calculation of electronic spectra. 1-Methyl-3-carbamoylpyridinium cation and 1,4-dihydronicotinamide
    1980, Vol. 45, Issue 8, pp. 2194–2200 [Abstract]
  • Jiří Krechl and Josef Kuthan
    EHT study of system 1-methyl-1,4-dihydronicotinamide-acetaldehyde
    1980, Vol. 45, Issue 8, pp. 2187–2193 [Abstract]
  • Josef Kuthan, Stanislav Böhm and Jiří Mostecký
    Quantum-chemical calculation as an aid in synthesis of prostaglandins, attempt of prediction of relative stability of four stereoisomeric methyl 7-hydroxy-2-oxa-3-oxobicyclo[3.3.0]octane-6-carboxylates
    1980, Vol. 45, Issue 8, pp. 2179–2186 [Abstract]
  • Peter Kutschy, Pavol Kristian, Milan Dzurilla and Jaroslav Kováč
    Reactions of α,β-unsaturated acyl isothiocyanates with phenylhydrazine
    1980, Vol. 45, Issue 6, pp. 1692–1703 [Abstract]
  • Antonín Kurfürst, Františka Raclová and Josef Kuthan
    Nitration of some polyalkyl-3,5-dicyano-1,4-dihydropyridines and fragmentation of their products by electron impact
    1980, Vol. 45, Issue 2, pp. 397–405 [Abstract]
  • Dušan Ilavský, Václav Jehlička and Josef Kuthan
    Structure of reaction product of 3-aminocrotononitrile with esters of alkoxymethylenecyanoacetic acid
    1979, Vol. 44, Issue 11, pp. 3288–3295 [Abstract]
  • Hans-Jörg Hofmann and Josef Kuthan
    On the conformational structure of nicotinamide and methyl-1,4-dihydronicotinamide
    1979, Vol. 44, Issue 9, pp. 2633–2638 [Abstract]
  • Josef Kuthan, Petr Nesvadba, Milan Popl and Jan Fähnrich
    Some 3-cyano-4,6-diaryl-2-pyridones with luminiscent properties
    1979, Vol. 44, Issue 8, pp. 2409–2416 [Abstract]
  • Dušan Ilavský, Jiří Krechl, Petr Trška and Josef Kuthan
    Electronic structure and properties of alkoxymethylenemalonic acid derivatives
    1979, Vol. 44, Issue 5, pp. 1423–1433 [Abstract]
  • Pavol Kristian, Peter Kutschy and Milan Dzurilla
    Synthesis of 2,2,4-trisubstituted 2H-1,3-oxazetes from acyl isothiocyanates
    1979, Vol. 44, Issue 4, pp. 1324–1333 [Abstract]
  • Josef Kuthan, Dušan Ilavský and Jiří Krechl
    Electronic absorption spectra and π-electron structure of 2-propenylidene-1,2-dihydropyridine and its derivatives
    1979, Vol. 44, Issue 3, pp. 884–894 [Abstract]
  • Ivan Danihel and Josef Kuthan
    Contribution to study of π-electronic effects in monosubstituted benzenes
    1979, Vol. 44, Issue 3, pp. 873–883 [Abstract]
  • Josef Kuthan, Stanislav Böhm and Vratislav Skála
    On applicability of EHT method for study of interactions of pyridinium ions with anions. Calculations of pyridine hydrochloride
    1979, Vol. 44, Issue 1, pp. 99–109 [Abstract]
  • Oľga Hritzová and Pavol Kristian
    Reaction of 4-substituted benzoyl isothiocyanates with N,N'-dicyclohexylcarbodiimide and N,N'-diphenylcarbodiimide
    1978, Vol. 43, Issue 12, pp. 3258–3262 [Abstract]
  • Josef Kuthan, Vratislav Skála and Stanislav Böhm
    EHT-study of 1-methylpyridinium fluoride and tetrafluoroborate
    1978, Vol. 43, Issue 11, pp. 3071–3078 [Abstract]
  • Vratislav Skála and Josef Kuthan
    EHT study of interaction of 1-methyl-3-carbamoylpyridinium with cyanide
    1978, Vol. 43, Issue 11, pp. 3064–3070 [Abstract]
  • Josef Kuthan, Vratislav Skála and Stanislav Böhm
    EHT demonstration of ionic structure of 1-methyl-3-carbamoylpyridinium fluoride and tetrafluoroborate
    1978, Vol. 43, Issue 11, pp. 3056–3063 [Abstract]
  • Vratislav Skála and Josef Kuthan
    Contribution to EHT conformation analysis of 1-methyl-3-carbamoylpyridinium cation
    1978, Vol. 43, Issue 11, pp. 3049–3055 [Abstract]
  • Pavol Kristian and Ladislav Kniežo
    Synthesis of 1,3-selenazolidine-2-thiones
    1978, Vol. 43, Issue 9, pp. 2298–2304 [Abstract]
  • Josef Kuthan, Dušan Ilavský, Jiří Krechl, Vladislav Kubelka and Petr Trška
    New cyclocondensation reaction of 3-alkylaminocrotononitriles
    1978, Vol. 43, Issue 8, pp. 2024–2036 [Abstract]
  • Ladislav Kniežo, Pavol Kristian and Samuel Velebný
    Synthesis and geometric isomerism of 4-substituted 2-phenylethenyl isothiocyanates
    1978, Vol. 43, Issue 7, pp. 1917–1923 [Abstract]
  • Josef Kuthan, Antonín Kurfürst, Zdeněk Prošek and Jaroslav Paleček
    Substituent effect in 1H-NMR spectra of the Hantzsch 1,4-dihydropyridines. meta and para Substituted 4-phenyl derivatives
    1978, Vol. 43, Issue 4, pp. 1068–1079 [Abstract]
  • Lubomír Musil, Jaroslav Paleček and Josef Kuthan
    Substituent effect in electronic and 1H-NMR spectra of 1- and 4-alkylated 3,5-dicyano-2,6-dimethyl-1,4-dihydropyridines
    1978, Vol. 43, Issue 4, pp. 946–959 [Abstract]
  • Josef Kuthan, Ivan Daniel and Vratislav Skála
    Quantum chemical study of dissociation of meta and para substituted benzoic acids in π-electron approximation
    1978, Vol. 43, Issue 2, pp. 447–462 [Abstract]
  • Vratislav Skála, Stanislav Böhm, Jaroslav Paleček and Josef Kuthan
    Electronic and mass spectra of 2,6-disubstituted phenyl and 2-styryl derivatives of 3,5-dicyanopyridines and their 1,4-dihydroanalogues
    1978, Vol. 43, Issue 2, pp. 434–446 [Abstract]
  • Oľga Hritzová and Pavol Kristian
    The synthesis;spectral properties and the dipole moments of 4'-substituted 4-biphenylcarbonyl isothiocyanates
    1978, Vol. 43, Issue 1, pp. 257–264 [Abstract]