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  • The dissociation path of the ground state of CF2++ dication is investigated by means of the multireference averaged quadratic coupled cluster (AQCC) method using an ANO type basis set. Low lying electronically excited states involved in the dissociation are calculed. The ground state of the CF2++ dication has be considered as metastable DE=-8.5 kcal/mol, however its dissociation into the ground states of CF+ and F+ is spin forbidden.
  • The dissociation path of the ground state of CF2++ dication is investigated by means of the multireference averaged quadratic coupled cluster (AQCC) method using an ANO type basis set. Low lying electronically excited states involved in the dissociation are calculed. The ground state of the CF2++ dication has be considered as metastable DE=-8.5 kcal/mol, however its dissociation into the ground states of CF+ and F+ is spin forbidden. (en)
Title
  • Some Remarks on the Stability of the Ground and Excited Electronic States of the CF 2 ++ Dication.
  • Some Remarks on the Stability of the Ground and Excited Electronic States of the CF 2 ++ Dication. (en)
skos:prefLabel
  • Some Remarks on the Stability of the Ground and Excited Electronic States of the CF 2 ++ Dication.
  • Some Remarks on the Stability of the Ground and Excited Electronic States of the CF 2 ++ Dication. (en)
skos:notation
  • RIV/61388955:_____/01:54010066!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany
  • 189;194
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  • P(GA203/00/0632), P(ME 272), Z(AV0Z4040901)
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  • 3
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  • 696414
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  • RIV/61388955:_____/01:54010066
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  • CF2++ dication; - stability of ground and excited states; - AQCC method (en)
http://linked.open.../riv/klicoveSlovo
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  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [6E3C7D91FA00]
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  • Chemical Physics Letters
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  • 338
http://linked.open...iv/tvurceVysledku
  • Hrušák, Jan
http://linked.open...n/vavai/riv/zamer
issn
  • 0009-2614
number of pages
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