Dysplasia 发表于 2025-3-25 04:31:15

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.

实现 发表于 2025-3-25 09:32:04

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

干旱 发表于 2025-3-25 14:21:21

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accordance 发表于 2025-3-25 19:54:00

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 发表于 2025-3-25 21:19:20

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 发表于 2025-3-26 00:37:00

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 发表于 2025-3-26 05:43:23

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Latency 发表于 2025-3-26 11:27:11

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 发表于 2025-3-26 14:48:48

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脆弱吧 发表于 2025-3-26 19:41:33

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