Collect. Czech. Chem. Commun. 1985, 50, 2493-2508
https://doi.org/10.1135/cccc19852493

Solvation of ions by dipolar aprotic solvents and water. A CNDO/2 study

Petr Kyselkaa, Zdeněk Havlasb and Ivo Slámaa

a Institute of Inorganic Chemistry, Czechoslovak Academy of Sciences, 160 00 Prague 6
b Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, 166 10 Prague 6

Individual author index pages


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  • Daniel Svozil*, Pavel Jungwirth and Zdeněk Havlas
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    2004, Vol. 69, Issue 7, pp. 1395–1428 [Abstract]
  • Zdeněk Havlas*, Mojmír Kývala and Josef Michl
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    2003, Vol. 68, Issue 12, pp. 2335–2343 [Abstract]
  • Zdeněk Havlas* and Hans Bock
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    2001, Vol. 66, Issue 3, pp. 473–482 [Abstract]
  • Josef Růžička, Ludvík Streinz*, David Šaman, Zdeněk Havlas, Zdeněk Wimmer, Marie Zarevúcka, Bohumír Koutek and Ladislav Lešetický
    Chlorofluoroacetic Acid as a Highly Versatile Derivatizing Agent: Assignment of Stereochemistry to Esters of Chiral Alcohols
    2000, Vol. 65, Issue 5, pp. 695–707 [Abstract]
  • Pavel Vlček, Zdeněk Havlas* and Zdeněk Pavlíček
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    1999, Vol. 64, Issue 4, pp. 633–648 [Abstract]
  • Zdeněk Havlas and Josef Michl
    Spin-Orbit Coupling in Biradicals. 3. Heavy Atom Effects in Carbenes
    1998, Vol. 63, Issue 9, pp. 1485–1497 [Abstract]
  • Pavel Hobza and Zdeněk Havlas
    Counterpoise-Corrected Potential Energy Surfaces of Simple Hydrogen-Bonded Systems
    1998, Vol. 63, Issue 9, pp. 1343–1354 [Abstract]
  • Zdeněk Havlas and Hans Bock
    Bare Molecular Anions of Unsaturated Hydrocarbons: Density Functional Charge and Spin Distributions Based on Their Single Crystal Structures
    1998, Vol. 63, Issue 8, pp. 1245–1263 [Abstract]
  • Hubert Hřebabecký, Miloš Buděšínský, Milena Masojídková, Zdeněk Havlas and Antonín Holý
    1-(3,5-O-Alkylidene-2-deoxy-4-C-hydroxymethyl-α-L-threo-pentofuranosyl)uracils
    1997, Vol. 62, Issue 6, pp. 957–970 [Abstract]
  • Daniel Alexander, Petr Holý, Pavel Fiedler, Zdeněk Havlas and Jiří Závada
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    1996, Vol. 61, Issue 10, pp. 1464–1472 [Abstract]
  • Ivo Sláma
    Induction period of the crystallization of silver nitrate solutions in ethylene glycol
    1991, Vol. 56, Issue 10, pp. 2142–2147 [Abstract]
  • Ivo Sláma and Jarmila Malá
    Induction period of crystallization of zinc chloride solutions in ethylene glycol
    1990, Vol. 55, Issue 10, pp. 2428–2431 [Abstract]
  • Rudolf Zahradník, Zdeněk Havlas, B. Andes Hess, Jr. and Pavel Hobza
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    1990, Vol. 55, Issue 4, pp. 869–889 [Abstract]
  • Ivo Sláma and Jarmila Malá
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    1989, Vol. 54, Issue 10, pp. 2711–2714 [Abstract]
  • Mojmír Skokánek and Ivo Sláma
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    1988, Vol. 53, Issue 12, pp. 3072–3079 [Abstract]
  • Helena Petrusová, Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
    A theoretical study on acetylene dimer, acetylene-s-tetrazine and acetylene-benzene associates
    1988, Vol. 53, Issue 11, pp. 2495–2502 [Abstract]
  • Petr Pracna and Zdeněk Havlas
    Ab initio study of the anharmonic properties of dipole moment functions of ammonia and the oxonium ion
    1988, Vol. 53, Issue 10, pp. 2175–2190 [Abstract]
  • František Tureček, Libor Brabec, Tomáš Vondrák, Vladimír Hanuš, Josef Hájíček and Zdeněk Havlas
    Sulfenic acids in the gas phase. Preparation, ionization energies and heats of formation of methane-, ethene-, and benzenesulfenic acid
    1988, Vol. 53, Issue 9, pp. 2140–2158 [Abstract]
  • Mojmír Skokánek and Ivo Sláma
    Molar heat capacities and enthalpies of fusion for the system zinc chloride-dimethyl sulphoxide
    1987, Vol. 52, Issue 9, pp. 2188–2193 [Abstract]
  • Ivan Horsák and Ivo Sláma
    The principle of ionic additivity and interaction parameters for the systems water-salt
    1987, Vol. 52, Issue 7, pp. 1680–1691 [Abstract]
  • Ivan Horsák and Ivo Sláma
    A lattice model of electrolytes for the whole concentration range
    1987, Vol. 52, Issue 7, pp. 1672–1679 [Abstract]
  • Petr Kyselka, Zdeněk Havlas and Ivo Sláma
    Ion solvation in mixed solvents. An ab initio study
    1987, Vol. 52, Issue 1, pp. 14–21 [Abstract]
  • Petr Kyselka, Zdeněk Havlas and Ivo Sláma
    Ion solvation by dipolar aprotic solvents. An ab initio study
    1987, Vol. 52, Issue 1, pp. 6–13 [Abstract]
  • Ivan Bašnák, Jiří Farkaš, Jaroslav Zajíček and Zdeněk Havlas
    Synthesis of anomeric 5-cyclopropyl-2'-deoxyuridines and 1H NMR spectroscopic study of their conformation
    1986, Vol. 51, Issue 8, pp. 1764–1771 [Abstract]
  • Petr Kyselka and Ivo Sláma
    Ion solvation. Application of combined discrete and continuum models
    1985, Vol. 50, Issue 11, pp. 2331–2337 [Abstract]
  • Petr Kyselka and Ivo Sláma
    1H NMR study of cation solvation in the mixed solvent dimethylformamide-water
    1985, Vol. 50, Issue 11, pp. 2325–2330 [Abstract]
  • Zdeněk Kodejš, Hana Špalková and Ivo Sláma
    The density and viscosity of concentrated solutions of silver nitrate in dimethyl sulphoxide
    1985, Vol. 50, Issue 10, pp. 2217–2220 [Abstract]
  • Petr Pacák and Ivo Sláma
    Liquidus temperatures of some systems salt-dimethyl sulphoxide and solvate formation. Preferential solvation by dimethyl sulphoxide
    1985, Vol. 50, Issue 7, pp. 1457–1464 [Abstract]
  • Jarmila Malá and Ivo Sláma
    Glass transition temperatures and glass-forming region of the system lithium chloride-dimethyl sulphoxide-water
    1985, Vol. 50, Issue 5, pp. 1161–1167 [Abstract]
  • Ivan Horsák, Petr Pacák and Ivo Sláma
    Evaluation of phase diagrams of solvate-forming binary systems: The systems dimethyl sulphoxide-lithium nitrate and dimethyl sulphoxide-calcium nitrate
    1985, Vol. 50, Issue 5, pp. 1001–1009 [Abstract]
  • Jindřich Novák, Zdeněk Kodejš and Ivo Sláma
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    1984, Vol. 49, Issue 5, pp. 1109–1115 [Abstract]
  • Ivan Horsák and Ivo Sláma
    Calculation of the phase diagram for the system water-dimethyl sulphoxide
    1983, Vol. 48, Issue 7, pp. 1936–1943 [Abstract]
  • Zdeněk Kodejš, Jindřich Novák and Ivo Sláma
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    1983, Vol. 48, Issue 7, pp. 1810–1819 [Abstract]
  • Jarmila Malá and Ivo Sláma
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    1983, Vol. 48, Issue 6, pp. 1558–1563 [Abstract]
  • Mojmír Skokánek and Ivo Sláma
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    1981, Vol. 46, Issue 10, pp. 2301–2306 [Abstract]
  • Mojmír Skokánek, Jarmila Malá and Ivo Sláma
    The temperature and concentration dependence of viscosity and the concentration dependence of glass transition temperature for the system calcium nitrate-potassium nitrate-water
    1981, Vol. 46, Issue 9, pp. 2149–2157 [Abstract]
  • Petr Pacák and Ivo Sláma
    The liquids temperature and supercooling ability of the calcium nitrate-dimethyl sulphoxide-water system
    1981, Vol. 46, Issue 7, pp. 1629–1634 [Abstract]
  • Vladimír Král, Zdeněk Arnold and Zdeněk Havlas
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    1981, Vol. 46, Issue 4, pp. 883–891 [Abstract]
  • Zdeněk Havlas, Miroslava Synáčková, Hubert Hřebabecký, Jiří Farkaš and Jiří Beránek
    NMR and quantum chemical study of empiric 2',3'-cyclic sulphites of nucleosides
    1981, Vol. 46, Issue 2, pp. 400–408 [Abstract]
  • Jarmila Malá and Ivo Sláma
    Glass transition temperature of calcium nitrate-potassium nitrate-water system
    1980, Vol. 45, Issue 7, pp. 1896–1902 [Abstract]
  • Jindřich Novák and Ivo Sláma
    Temperature and concentration dependence of equivalent conductivity in Ca(NO3)2-CaI2-H2O system
    1980, Vol. 45, Issue 6, pp. 1639–1645 [Abstract]
  • Zdeněk Havlas and Petr Maloň
    Molecular geometries - Accuracy test of the PCILO method
    1980, Vol. 45, Issue 2, pp. 321–329 [Abstract]
  • Zdeněk Kodejš and Ivo Sláma
    Densities and molar volumes of the Ca(NO3)2-CaBr2-H2O system
    1980, Vol. 45, Issue 1, pp. 17–20 [Abstract]
  • Jarmila Malá and Ivo Sláma
    Glass transition temperature of hydrated mixtures of calcium chloride and nitrate, calcium bromide and nitrate, and calcium iodide and nitrate
    1979, Vol. 44, Issue 6, pp. 1877–1884 [Abstract]
  • Jiří Rameš, Petr Kyselka and Karel Procházka
    Heats of mixing of nonelectrolytes
    1979, Vol. 44, Issue 2, pp. 313–318 [Abstract]
  • Petr Kyselka, Jiří Rameš and Karel Procházka
    Heats of vaporization of nonelectrolytes
    1979, Vol. 44, Issue 2, pp. 307–312 [Abstract]
  • Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
    An attempt to construct a hybrid intermolecular potential
    1978, Vol. 43, Issue 5, pp. 1356–1365 [Abstract]
  • Jarmila Malá, Jiří Novák, Zdeněk Kodejš and Ivo Sláma
    Temperature of glass transition and equivalent conductivity of hydrated melts in a mixture of calcium nitrate and calcium chloride
    1978, Vol. 43, Issue 1, pp. 183–192 [Abstract]