Collect. Czech. Chem. Commun. 1998, 63, 1431-1446

Ab initio Molecular Dynamics for Determination of Structures of Alkali Metal Clusters and Their Temperatures Behavior; An Example of Li9+

Vlasta Bonačič-Kouteckýa, Detlef Reichardta, Jiří Pittnera, Piercarlo Fantuccib and Jaroslav Kouteckýc

a Humboldt-Universität zu Berlin, Walther-Nernst-Institut für Physikalische und Theoretische Chemie, Bunsenstrasse 1, 10117 Berlin, Germany
b Dipartimento di Chimica Inorganica, Metallorganica e Analitica, Centro CNR, Università di Milano, Via Venezian 21, 20133 Milano, Italy
c Freie Universität Berlin, Institut für Physikalische und Theoretische Chemie, Takustrasse 3,14195 Berlin, Germany

Individual author index pages

Other CCCC articles of these authors

  • Libor Veis, Petr Čársky, Jiří Pittner and Josef Michl*
    Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4
    2008, Vol. 73, Issue 11, pp. 1525–1551 [Abstract]
  • Oscar Rey Puiggros, Jiří Pittner*, Petr Čársky*, Philipp Stampfuss and Wolfgang Wenzel
    Multireference Brillouin-Wigner Coupled Cluster Singles and Doubles (MRBWCCSD) and Multireference Doubles Configuration Interaction (MRD-CI) Calculations for the Bergman Cyclization Reaction
    2003, Vol. 68, Issue 12, pp. 2309–2321 [Abstract]
  • Ladislav Češpiva, Vlasta Bonačič-Koutecký, Jaroslav Koutecký, Per Jensen, Vojtěch Hrouda, Petr Čársky, Vladimír Špirko and Pavel Hobza
    Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+
    1993, Vol. 58, Issue 1, pp. 24–28 [Abstract]