. . "6"^^ . . "9"^^ . "Ponec, Robert" . "Croatica Chemica Acta" . "In this work the ideas of molecular quantum similarity are used to generalize the Polansky similarity index. The newly developed index gauges the aromaticity of individual benzenoid rings in polyaromatic hydrocarbons by its similarity to benzene beyond the scope of simple Huckel theory on which it was originally introduced. The reported generalization allows the new index to be calculated at realistic contemporary ab-initio level of the theory, opening the possibility of its use as a new measure of aromaticity. As will be shown, the new index correlates very well, not only with the original Polansky index, but also with the Generalized Population Analysis based SCI index." . "Generalized Polansky Index as an Aromacity Measure in Polycyclic Aromatic Hydrocarbons"@en . . . "79" . . "Bultinck, P." . . "Teorie kvantov\u00E9 molekul\u00E1rn\u00ED podobnosti je u\u017Eita k zobecn\u011Bn\u00ED Polansk\u00E9ho indexu podobnosti za r\u00E1mec Huckelovy teorie. Popsan\u00E9 zobecn\u011Bn\u00ED dovoluje vypo\u010D\u00EDtat nov\u00FD index na realistick\u00E9 ab-initio \u00FArovni, co\u017E otv\u00EDr\u00E1 mo\u017Enost jeho vyu\u017Eit\u00ED jako nov\u00E9 m\u00EDry aromaticity. Je uk\u00E1z\u00E1no, \u017Ee nov\u00FD index velice dob\u0159e koreluje nejen s p\u016Fvodn\u00EDm Polansk\u00E9ho indexem, ale tak\u00E9 s indexem SCI zaveden\u00FDm v r\u00E1mci zobecn\u011Bn\u00E9 popula\u010Dn\u00ED anal\u00FDzy."@cs . "polansky index; quantum similarity; aromaticity"@en . "Carb\u00F3-Dorca, R." . "Zobecn\u011Bn\u00FD Polansk\u00E9ho index jako m\u00EDra aromaticity v polycyklick\u00FDch aromatick\u00FDch uhlovod\u00EDc\u00EDch"@cs . . "In this work the ideas of molecular quantum similarity are used to generalize the Polansky similarity index. The newly developed index gauges the aromaticity of individual benzenoid rings in polyaromatic hydrocarbons by its similarity to benzene beyond the scope of simple Huckel theory on which it was originally introduced. The reported generalization allows the new index to be calculated at realistic contemporary ab-initio level of the theory, opening the possibility of its use as a new measure of aromaticity. As will be shown, the new index correlates very well, not only with the original Polansky index, but also with the Generalized Population Analysis based SCI index."@en . "1"^^ . "[11817FBD4A75]" . . . . "Gallegos, A." . . . "Generalized Polansky Index as an Aromacity Measure in Polycyclic Aromatic Hydrocarbons" . "363;371" . "Generalized Polansky Index as an Aromacity Measure in Polycyclic Aromatic Hydrocarbons"@en . . "RIV/67985858:_____/06:00055257!RIV07-AV0-67985858" . "RIV/67985858:_____/06:00055257" . . "Van Damme, S." . . "0011-1643" . "HR - Chorvatsk\u00E1 republika" . . "Generalized Polansky Index as an Aromacity Measure in Polycyclic Aromatic Hydrocarbons" . "Fias, S." . "476800" . "Zobecn\u011Bn\u00FD Polansk\u00E9ho index jako m\u00EDra aromaticity v polycyklick\u00FDch aromatick\u00FDch uhlovod\u00EDc\u00EDch"@cs . "P(IAA4072403), Z(AV0Z40720504)" . "3" .