Titlebook: Excitation Energies and Properties of Open-Shell Singlet Molecules; Applications to a Ne Masayoshi Nakano Book 2014 The Author(s) 2014 Corr

Dysplasia

Diradical Character View of Singlet Fission,aradical hydrogen cluster, is investigated in order to reveal the multiple diradical character dependences of relative excitation energies and to build a diradical character based design guideline. On the basis of this guideline, several candidate molecules are proposed.

實現(xiàn)

Excitation Energies and Properties of Open-Shell Singlet Molecules978-3-319-08120-5Series ISSN 2191-5407 Series E-ISSN 2191-5415

干旱

accordance

https://doi.org/10.1007/978-3-322-83386-0istry and implies a chemical index of a bond nature. In this chapter, we present analytical expressions for electronic energies and wavefunctions of the ground- and excited states as well as for the excitation energies and transition properties based on symmetric two-site diradical models with diffe

Ornament

Versozialwissenschaftlichung des Sterbensation energies and transition properties of asymmetric two-site diradical models as the functions of diradical character using the valence configuration interaction method. Such asymmetric diradical systems are realized by symmetric diradical molecules under static electric fieldsand/or by diradical

消毒

https://doi.org/10.1007/978-3-030-15831-6es, in static and resonant cases based on the diradical character dependences of excitation energies and properties of two-site symmetric and asymmetric diradical models with two electrons in two active orbitals. The analysis results highlight the differences of optical response properties between o

盲信者

Latency

https://doi.org/10.1007/978-3-531-91581-4s and singlet fission (SF) molecules—are summarized. The remaining problems to be solved for designing open-shell singlet NLO and SF materials are presented together with future possible extension of the present concept.

overreach

脆弱吧

Summary and Future Prospects,s and singlet fission (SF) molecules—are summarized. The remaining problems to be solved for designing open-shell singlet NLO and SF materials are presented together with future possible extension of the present concept.