Collect. Czech. Chem. Commun. 1984, 49, 2050-2069
https://doi.org/10.1135/cccc19842050

Electrostatic effects on conformational equilibria: Solvation enthalpies and the reaction field theory

Zdeněk Friedla, Pavel Fiedlerb, Ján Birošc, Věra Uchytilovád, Igor Tvaroškae, Stanislav Böhmf and Otto Exnerb

a Department of Organic Chemistry, Slovak Institute of Technology, 812 37 Bratislava
b Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, 166 10 Prague 6
c Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06 Prague 6
d Department of Physical Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
e Chemical Institute, Slovak Academy of Sciences, 809 33 Bratislava
f Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6

Individual author index pages


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  • Zdeněk Friedl, Stanislav Böhm, Igor Goljer, Anna Piklerová, Daniela Poórová, Anna Ríčková and Jaroslav Kováč
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    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
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  • Ladislav Turi Nagy, Igor Tvaroška and Daniel Tunega
    Effect of the electric field on molecular structure in the MNDO approximation
    1986, Vol. 51, Issue 9, pp. 1803–1818 [Abstract]
  • Otto Exner and Nedelko Motekov
    Dipole moments and conformation of some aromatic benzamidoximes
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  • Otto Exner and Václav Jehlička
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  • Štefan Marchalín, Václav Jehlička, Stanislav Böhm, Petr Trška and Josef Kuthan
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  • Evangelia A. Varella, Nicholas E. Alexandrou and Otto Exner
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  • 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]
  • Otto Exner and Václav Jehlička
    Conformation around several equivalent bonds. Polymethoxy derivatives of benzene
    1983, Vol. 48, Issue 4, pp. 1030–1041 [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]
  • Barbu A. Demian, Otto Exner and Aurora Sallo
    Kinetics and mechanism of the azo coupling reaction of 1-aminonaphthalene-4-sulfonic acid
    1983, Vol. 48, Issue 3, pp. 748–754 [Abstract]
  • Otto Exner, Juraj Koudelka and Soňa Vašíčková
    Dipole moment of the intramolecular hydrogen bond. 2-Nitrophenol and its derivatives
    1983, Vol. 48, Issue 3, pp. 735–747 [Abstract]
  • Evangelia A. Varella, Evangelos D. Micromastoras, Nicholas E. Alexandrou and Otto Exner
    Sythesis and mass spectra of aroylbenzamidoximes
    1983, Vol. 48, Issue 2, pp. 596–607 [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]
  • Igor Tvaroška
    MNDO conformations of chloromethyloxirane and solvent effect
    1982, Vol. 47, Issue 12, pp. 3199–3205 [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]
  • Ján Biroš, Antonín Sikora, Antonín Živný and Julius Pouchlý
    Heat capacities of monomer models of some hydrophilic polymers in an aqueous solution from 20° to 60 °C
    1982, Vol. 47, Issue 10, pp. 2692–2701 [Abstract]
  • Otto Exner, Dario Iarossi and Piero Vivarelli
    Dipole moments induced in larger molecules. Triphenylmethyl derivatives
    1982, Vol. 47, Issue 6, pp. 1733–1737 [Abstract]
  • Otto Exner and Karel Waisser
    Dipole moment and electron distribution of the thioamide group
    1982, Vol. 47, Issue 3, pp. 828–837 [Abstract]
  • Otto Exner and Nedelko Motekov
    Configuration and conformation of amidoximes. N,N-Dialkyl derivatives
    1982, Vol. 47, Issue 3, pp. 814–827 [Abstract]
  • Jaromír Kaválek, Pavel Fiedler, Zlata Papoušková and Otto Exner
    The confirmation of trisubstituted ureas and thioureas in solution
    1982, Vol. 47, Issue 1, pp. 35–44 [Abstract]
  • Otto Exner and Ayfer Bapçum
    Dipole moments induced in larger molecule. Long-chain aliphatic esters
    1982, Vol. 47, Issue 1, pp. 29–34 [Abstract]
  • Igor Tvaroška, Slavomír Bystrický, Petr Maloň and Karel Bláha
    Non-planar conformations of methylacetamide: Solvent effect and chiroptical properties
    1982, Vol. 47, Issue 1, pp. 17–28 [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]
  • Otto Exner
    A re-examination of the Eötvös equation
    1981, Vol. 46, Issue 8, pp. 1930–1940 [Abstract]
  • Tomáš Bleha, Ján Mlýnek and Igor Tvaroška
    Conformational dependence of solvation energy of phosphates
    1981, Vol. 46, Issue 8, pp. 1722–1733 [Abstract]
  • Otto Exner
    A comparison of methods for determining dipole moments in solution
    1981, Vol. 46, Issue 4, pp. 1002–1010 [Abstract]
  • Otto Exner and Václav Jehlička
    The conformation of aryl carbonates. A dipole moment study
    1981, Vol. 46, Issue 4, pp. 856–860 [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]
  • Aleksandr I. Artemenko, Inga V. Tikunova, Evgenii K. Anufriev, Václav Jehlička and Otto Exner
    Dipole moments of hydroxamic acids and N,O-diacylhydroxylamines
    1981, Vol. 46, Issue 3, pp. 729–739 [Abstract]
  • Václav Svoboda, Věra Uchytilová, Vladimír Majer and Jiří Pick
    Relation of the temperature derivative of internal and cohesive energies of vaporization to the difference of heat capacities of liquids and gases
    1981, Vol. 46, Issue 3, pp. 535–541 [Abstract]
  • Božo Plesničar and Otto Exner
    Dipole moments and conformation of peroxy esters
    1981, Vol. 46, Issue 2, pp. 490–497 [Abstract]
  • Václav Svoboda, Věra Uchytilová, Vladimír Majer and Jiří Pick
    Heats of vaporization of alkyl esters of formic, acetic and propionic acids
    1980, Vol. 45, Issue 12, pp. 3233–3240 [Abstract]
  • Vladimír Hanuš, Milan Hrazdira and Otto Exner
    Pyrazolidine derivatives from the condensation reaction of hydrazobenzene with aliphatic aldehydes
    1980, Vol. 45, Issue 9, pp. 2417–2424 [Abstract]
  • Otto Exner and Zlata Papoušková
    Dipole moment and electron distribution of the amide group
    1980, Vol. 45, Issue 9, pp. 2410–2416 [Abstract]
  • Otto Exner, Václav Jehlička, Luděk Vodička and Pavel Jakoubek
    Dipole moments induced in larger molecules. 1- And 4-substituted diamantanes
    1980, Vol. 45, Issue 9, pp. 2400–2409 [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]
  • Igor Tvaroška and Tomáš Bleha
    Calculation of solvent effect on conformation stability and anomeric effect in dimethoxymethane
    1980, Vol. 45, Issue 7, pp. 1883–1895 [Abstract]
  • Zdeněk Friedl, Pavel Fiedler and Otto Exner
    Electrostatic effects on conformational equilibria. Solvent dependence
    1980, Vol. 45, Issue 5, pp. 1351–1360 [Abstract]
  • Otto Exner and Pavel Fiedler
    A refined empirical model of the sigma-inductive effect
    1980, Vol. 45, Issue 4, pp. 1251–1268 [Abstract]
  • Vladimír Král, Zdeněk Arnold, Václav Jehlička and Otto Exner
    Quantum chemical study of sulfonium ylides: Structure, charge distribution and dipole moments
    1980, Vol. 45, Issue 4, pp. 1236–1250 [Abstract]
  • Otto Exner
    Substituent effects in electronic spectroscopy: Correlations with Platt spectroscopic moments
    1980, Vol. 45, Issue 3, pp. 843–853 [Abstract]
  • Slavomír Bystrický, Tibor Sticzay and Igor Tvaroška
    Effect of temperature on chiroptical and conformational properties of acyclic ketoses
    1980, Vol. 45, Issue 2, pp. 475–481 [Abstract]
  • Ján Biroš, Rattan Lal Madan and Julius Pouchlý
    The heat capacity of water swollen poly(2-hydroxyethyl acrylate) above and below 0 °C
    1979, Vol. 44, Issue 12, pp. 3566–3573 [Abstract]
  • Otto Exner and Jan B. F. N. Engberts
    The gauche effect on conformation. α-Substituted sulfones and N-substituted sulfonamides
    1979, Vol. 44, Issue 11, pp. 3378–3384 [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]
  • Otto Exner, Jorga Smolíková, Václav Jehlička and Ahmad S. Shawali
    Hydrogen bonding, configuration and conformation of substituted α-oxo oximes and hydrazones
    1979, Vol. 44, Issue 8, pp. 2494–2506 [Abstract]
  • Břetislav Princ and Otto Exner
    Structure reexamination of aliphatic nitrones and their dimers
    1979, Vol. 44, Issue 7, pp. 2221–2229 [Abstract]
  • Jiří Mollin, Pavel Fiedler, Václav Jehlička and Otto Exner
    The conformation of substituted hydroxyureas and hydroxythioureas in solution
    1979, Vol. 44, Issue 3, pp. 895–907 [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]
  • Otto Exner and Božo Plesničar
    Hydrogen bonding and conformation of substituted peroxybenzoic acids as reflected in dipole moment values
    1978, Vol. 43, Issue 11, pp. 3079–3086 [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]
  • Jan Balej and Ján Biroš
    Redetermination of solidus-liquidus curves for the Na-Hg system in the crystallization region of pure mercury
    1978, Vol. 43, Issue 11, pp. 2834–2838 [Abstract]
  • Otto Exner and Pavel Vetešník
    Substituent efect in electronic spectroscopy: meta- and para-substituted benzonitriles
    1978, Vol. 43, Issue 10, pp. 2763–2778 [Abstract]
  • Božo Plesničar, Jorga Smolíková, Václav Jehlička and Otto Exner
    Dipole moment of the intramolecular hydrogen bond. Substituted α-hydroxyacetophenones
    1978, Vol. 43, Issue 10, pp. 2754–2762 [Abstract]
  • Otto Exner and Nedelko Motekov
    Configuration and conformation of amidoximes. Aromatic derivatives with a free amino group
    1978, Vol. 43, Issue 10, pp. 2740–2753 [Abstract]
  • Zdeněk Friedl and Otto Exner
    Electrostatic effects on conformational equilibria 3-substituted benzonitriles
    1978, Vol. 43, Issue 10, pp. 2591–2599 [Abstract]
  • Miroslav Svoboda, Miroslava Synáčková, Zdeněk Samek, Pavel Fiedler and Zdeněk Arnold
    N,N-Dimethyl-N-alkylammoniodiformylmethylides: New group of stabilised aliphatic ylides
    1978, Vol. 43, Issue 5, pp. 1261–1275 [Abstract]
  • Igor Tvaroška and Tomáš Bleha
    Role of electrostatic interactions in determination of anomeric effect in molecular-mechanical calculations of acetal conformation
    1978, Vol. 43, Issue 4, pp. 922–931 [Abstract]
  • Julius Pouchlý, Antonín Živný and Ján Biroš
    Heats of mixing of butanone and chloroform with alkanes: Ternary systems
    1978, Vol. 43, Issue 3, pp. 837–847 [Abstract]
  • Ján Biroš, Antonín Živný and Julius Pouchlý
    Heats of mixing of butanone and chloroform with alkanes: Binary systems
    1978, Vol. 43, Issue 3, pp. 829–836 [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]