Collect. Czech. Chem. Commun.
1994, 59, 1467-1471
https://doi.org/10.1135/cccc19941467
Electrostatic Effects in Ionization Equilibria: An AM1 Study of Reversed Substituent Effect in 5-Fluorobicyclo[3.3.3]undecane-1-carboxylic Acid
Zdeněk Friedla and Stanislav Böhmb
a Faculty of Chemistry, Technical University Brno, 637 00 Brno, Czech Republic
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, Czech Republic
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
2007, Vol. 72, Issue 10, pp. 1435–1445 [Abstract] - Stanislav Böhm and Otto Exner*
Revision of the Dual-Substituent-Parameter Treatment; Reaction Series with a Donor Reaction Centre
2007, Vol. 72, Issue 8, pp. 1158–1176 [Abstract] - Jana Tomaščiková, Ján Imrich*, Ivan Danihel, Stanislav Böhm and Pavol Kristian
Heterocyclization of (Acridin-9-yl)thiosemicarbazides with Dimethyl Acetylenedicarboxylate
2007, Vol. 72, Issue 3, pp. 347–362 [Abstract] - Otto Exner* and Stanislav Böhm
Analysis of the Ortho Effect: Basicity of 2-Substituted Benzonitriles
2006, Vol. 71, Issue 8, pp. 1239–1255 [Abstract] - Stanislav Böhm and Otto Exner*
Estimation of Resonance Energy from Forced Nonplanar Conformations of Conjugated Molecules
2005, Vol. 70, Issue 10, pp. 1577–1588 [Abstract] - Stanislav Böhm and Otto Exner*
Interaction of Polar Groups with a Bulky Hydrocarbon Residue: Polarizability and Steric Effects
2005, Vol. 70, Issue 3, pp. 370–382 [Abstract] - Stanislav Böhm and Otto Exner*
Attenuation of the Substituent Effects Along the Aliphatic Chain
2004, Vol. 69, Issue 5, pp. 984–995 [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] - Jan Čejka, Bohumil Kratochvíl, Stanislav Böhm, Ivana Císařová, Ladislav Cvak and Alexandr Jegorov*
Structural Study of Dopamine Agonist Lisuride
2003, Vol. 68, Issue 11, pp. 2150–2158 [Abstract] - Michal Hušák, Bohumil Kratochvíl, Ivana Císařová, Ladislav Cvak, Alexandr Jegorov* and Stanislav Böhm
Crystal Forms of Semisynthetic Ergot Alkaloid Terguride
2002, Vol. 67, Issue 4, pp. 479–489 [Abstract] - Otto Exner and Stanislav Böhm*
Resonance Energy in Benzene Derivatives with a Variable Functional Group
2001, Vol. 66, Issue 11, pp. 1623–1637 [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] - Daniel Alexander, Stanislav Böhm, Ivana Císařová, Petr Holý, Jaroslav Podlaha, Miroslav Šlouf and Jiří Závada*
Sterically Crowded Hexaalkyl Benzene-1,2,3,4,5,6-hexakis[α-(alkoxycarbonyl)propanoates]. Synthesis and Conformation Analysis
2000, Vol. 65, Issue 5, pp. 673–694 [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] - Ivana Císařová, Jaroslav Podlaha, Stanislav Böhm and Otto Exner*
Steric Effects and Steric Inhibition of Resonance in Benzene Derivatives: 2,3-Dimethylbenzoic Acid
2000, Vol. 65, Issue 2, pp. 216–226 [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] - Miroslav Holík*, Zdeněk Friedl, Karel Waisser and Jiří Gregor
Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1,3-dihydro-2H-isoindole-1,3-diones and 3-(4-X-Phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones
1999, Vol. 64, Issue 10, pp. 1709–1726 [Abstract] - Miroslav Holík*, Zdeněk Friedl and Štefan Marchalín
Multivariate Regression with Substituent Shift Increments. III. 2,5-Disubstituted Furans
1999, Vol. 64, Issue 10, pp. 1696–1708 [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] - 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] - 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] - 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] - 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] - 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] - 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] - 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] - 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] - 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] - 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] - Zdeněk Friedl and Stanislav Böhm
Electrostatic effects in ionization equilibria: An MNDO study of proton and hydrogen transfer reactions of 4-fluorobutanol
1990, Vol. 55, Issue 12, pp. 2880–2888 [Abstract] - Stanislav Böhm and Josef Kuthan
Quantum chemical prediction of 2H-pyran vibration spectrum
1990, Vol. 55, Issue 1, pp. 10–20 [Abstract] - Zdeněk Friedl and Stanislav Böhm
Electrostatic effects on ionization equilibria: An MNDO study of proton and hydrogen transfer reactions of 4-fluorobutylamine
1990, Vol. 55, Issue 1, pp. 1–9 [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] - Adolf Jurášek, Daniela Berecinová, Miroslav Čakrt, Miloslava Dandárová, Zdeněk Friedl, Jarmila Štetinová and Jaroslav Kováč
Synthesis of 2-aryl-3-furancarboxylic acids by arylation of 3-furancarboxylic acid
1989, Vol. 54, Issue 1, pp. 215–224 [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] - 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] - 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] - 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] - Zdeněk Friedl, Stanislav Böhm, Igor Goljer, Anna Piklerová, Daniela Poórová, Anna Ríčková and Jaroslav Kováč
Polar effects on 13C NMR chemical shifts and rotational barriers of amides. A dual substituent parameters analysis of N,N-dimethyl-3-(5-substituted-2-furyl)-acrylamides
1987, Vol. 52, Issue 2, pp. 409–424 [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] - 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] - Zdeněk Friedl, Pavel Fiedler, Ján Biroš, Věra Uchytilová, Igor Tvaroška, Stanislav Böhm and Otto Exner
Electrostatic effects on conformational equilibria: Solvation enthalpies and the reaction field theory
1984, Vol. 49, Issue 9, pp. 2050–2069 [Abstract] - Karel Kalfus, Zdeněk Friedl and Otto Exner
Electrostatic effects on ionization equilibria: Solvent dependence
1984, Vol. 49, Issue 1, pp. 179–189 [Abstract] - Otto Exner, Zdeněk Friedl and Pavel Fiedler
Electrostatic effects on conformational equilibria: Alkyl 2-cyanobenzoates and 3-cyanopropenoates
1983, Vol. 48, Issue 11, pp. 3086–3096 [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] - 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] - 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] - 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] - 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] - 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] - 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, 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] - Zdeněk Friedl, Pavel Fiedler and Otto Exner
Electrostatic effects on conformational equilibria. Solvent dependence
1980, Vol. 45, Issue 5, pp. 1351–1360 [Abstract] - Zdeněk Friedl, Jaroslav Hapala and Otto Exner
Electrostatic effects on ionization equilibria. 3-Substituted bicyclo[2,2,2]octane-1-carboxylic acids
1979, Vol. 44, Issue 10, pp. 2928–2945 [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] - Otto Exner and Zdeněk Friedl
Electrostatic effects on ionization equilibria. Carboxylic acids and amines derived from 1-indanone
1978, Vol. 43, Issue 12, pp. 3227–3240 [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] - 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] - Zdeněk Friedl and Otto Exner
Electrostatic effects on conformational equilibria 3-substituted benzonitriles
1978, Vol. 43, Issue 10, pp. 2591–2599 [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]