Collect. Czech. Chem. Commun. 1987, 52, 14-21
https://doi.org/10.1135/cccc19870014

Ion solvation in mixed solvents. An ab initio 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


Other CCCC articles of these authors

  • Martin Lepšík, Martin Srnec, Drahomír Hnyk, Bohumír Grüner, Jaromír Plešek, Zdeněk Havlas and Lubomír Rulíšek*
    exo-Substituent effects in halogenated icosahedral (B12H122–) and octahedral (B6H62–) closo-borane skeletons: chemical reactivity studied by experimental and quantum chemical methods
    2009, Vol. 74, Issue 1, pp. 1–27 [Abstract]
  • Rudolf Zahradník, Martin Srnec and Zdeněk Havlas*
    Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study
    2005, Vol. 70, Issue 5, pp. 559–578 [Abstract]
  • Daniel Svozil*, Pavel Jungwirth and Zdeněk Havlas
    Electron Binding to Nucleic Acid Bases. Experimental and Theoretical Studies. A Review
    2004, Vol. 69, Issue 7, pp. 1395–1428 [Abstract]
  • Zdeněk Havlas*, Mojmír Kývala and Josef Michl
    Spin-Orbit Coupling in Biradicals. 4. Zero-Field Splitting in Triplet Nitrenes, Phosphinidenes, and Arsinidenes
    2003, Vol. 68, Issue 12, pp. 2335–2343 [Abstract]
  • Zdeněk Havlas* and Hans Bock
    Enhanced Long-Range Si···N Interactions in Organosilicon Cations. A Theoretical Study
    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
    Are 1,4-Dihydropyrazines Antiaromatic? Ab initio Study of 1,4-Dihydropyrazines and Their Tetrahydro Derivatives
    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
    Symmetrical Tris(4,6-diamino-5-methylene-2-pyrimidones): New Building Blocks for Self-Assembly of Hollow Spherical Supramolecules Locked by Hydrogen Bonds
    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
    Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH2, AH3, AH4 and related systems
    1990, Vol. 55, Issue 4, pp. 869–889 [Abstract]
  • Ivo Sláma and Jarmila Malá
    The supercooling ability of calcium nitrate solutions in ethylene glycol
    1989, Vol. 54, Issue 10, pp. 2711–2714 [Abstract]
  • Mojmír Skokánek and Ivo Sláma
    Heat capacities and enthalpies of fusion and transformation for solvates of some salts with dimethyl sulfoxide and dimethylformamide
    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 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, Zdeněk Havlas and Ivo Sláma
    Solvation of ions by dipolar aprotic solvents and water. A CNDO/2 study
    1985, Vol. 50, Issue 11, pp. 2493–2508 [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
    Viscosity, electrical conductivity and density of the system ammonium nitrate-dimethyl sulphoxide
    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
    Density and viscosity of the system Ca(NO3)2-H2O-dimethyl sulphoxide
    1983, Vol. 48, Issue 7, pp. 1810–1819 [Abstract]
  • Jarmila Malá and Ivo Sláma
    Glass transition temperatures in the system calcium chloride-water-dimethylsulphoxide
    1983, Vol. 48, Issue 6, pp. 1558–1563 [Abstract]
  • Mojmír Skokánek and Ivo Sláma
    The density and the molar volumes of the system Ca(NO3)2-KNO3-H2O
    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
    Semiempirical and ab initio study of the nature of the C-S bond in sulfonium ylides
    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]