"polarizability; first hyperpolarizability; second hyperpolarizability; nonlinear optical properties"@en . "Bartkowiak, W." . "1"^^ . "Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model" . . . "4"^^ . "Chemical Physics" . . . . "V \u010Dl\u00E1nku jsou teoreticky prostudov\u00E1ny vztahy statick\u00FDch vibra\u010Dn\u00EDch a elektronov\u00FDch hyperpolarizabilit s\u00E9rie push\u2013pull molekul v r\u00E1mci dvoustavov\u00E9ho VB\u2013CT modelu na \u00FArovni M\u00F8llerovy\u2013Plessetovy metody. Srovn\u00E1n\u00ED ab initio v\u00FDsledk\u016F a v\u00FDsledk\u016F VB\u2013CT modelu ukazuje na malou spolehlivost dvoustavov\u00E9ho modelu."@cs . "414606" . "Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model"@en . "Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model" . . . "0301-0104" . "Toman, Petr" . . "77;80" . "Z(AV0Z40500505)" . . . . . "In this paper, the relationship between static vibrational and electronic hyperpolarizabilities of a series of push\u2013pull molecules within the two-state valence-bond charge-transfer model are reinvestigated computationally at the M\u00F8ller\u2013Plesset level of theory."@en . "Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model"@en . "RIV/61389013:_____/07:00098552" . "337" . . "1-3" . . "[B2A2D1568C7D]" . "RIV/61389013:_____/07:00098552!RIV08-AV0-61389013" . "In this paper, the relationship between static vibrational and electronic hyperpolarizabilities of a series of push\u2013pull molecules within the two-state valence-bond charge-transfer model are reinvestigated computationally at the M\u00F8ller\u2013Plesset level of theory." . "V\u00FDpo\u010Detn\u00ED studie vztahu mezi elektronovou a vibra\u010Dn\u00ED polarizabilitou v r\u00E1mci dvoustavov\u00E9ho VB\u2013CT modelu"@cs . . . "Zalesny, R." . "4"^^ . "V\u00FDpo\u010Detn\u00ED studie vztahu mezi elektronovou a vibra\u010Dn\u00ED polarizabilitou v r\u00E1mci dvoustavov\u00E9ho VB\u2013CT modelu"@cs . "NL - Nizozemsko" . "Leszczynski, J." .