Collect. Czech. Chem. Commun. 1998, 63, 1245-1263
https://doi.org/10.1135/cccc19981245

Bare Molecular Anions of Unsaturated Hydrocarbons: Density Functional Charge and Spin Distributions Based on Their Single Crystal Structures

Zdeněk Havlasa and Hans Bockb

a Institute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech Republic, 116 10 Prague 6, Czech Republic
b Chemistry Department, University of Frankfurt, Marie-Curie-Str. 11, D-60439 Frankfurt/Main, Germany

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Other CCCC articles of these authors

  • Martin Lepšík, Martin Srnec, Drahomír Hnyk, Bohumír Grüner, Jaromír Plešek, Zdeněk Havlas and Lubomír Rulíšek*
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    2009, Vol. 74, Issue 1, pp. 1–27 [Abstract]
  • Rudolf Zahradník, Martin Srnec and Zdeněk Havlas*
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    2005, Vol. 70, Issue 5, pp. 559–578 [Abstract]
  • 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]
  • Hubert Hřebabecký, Miloš Buděšínský, Milena Masojídková, Zdeněk Havlas and Antonín Holý
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    1997, Vol. 62, Issue 6, pp. 957–970 [Abstract]
  • Hans Bock
    99 Semesters of Chemistry - A Personal Retrospective on the Molecular State Approach by Preparative Chemists
    1997, Vol. 62, Issue 1, pp. 1–41 [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]
  • Rudolf Zahradník, Zdeněk Havlas, B. Andes Hess, Jr. and Pavel Hobza
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    1990, Vol. 55, Issue 4, pp. 869–889 [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
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    1988, Vol. 53, Issue 9, pp. 2140–2158 [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, 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]
  • 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]
  • Zdeněk Havlas and Petr Maloň
    Molecular geometries - Accuracy test of the PCILO method
    1980, Vol. 45, Issue 2, pp. 321–329 [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]