Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission /

This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electr...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Nakano, Masayoshi (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cham : Springer International Publishing : Imprint: Springer, 2014.
Edición:1st ed. 2014.
Colección:SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,
Temas:
Physical chemistry.
Optical materials.
Atoms.
Molecules.
Physical Chemistry.
Optical Materials.
Atomic, Molecular and Chemical Physics.
Acceso en línea:Texto Completo

MARC

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245 1 0 |a Excitation Energies and Properties of Open-Shell Singlet Molecules  |h [electronic resource] :  |b Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission /  |c by Masayoshi Nakano. 
250 |a 1st ed. 2014. 
264 1 |a Cham :  |b Springer International Publishing :  |b Imprint: Springer,  |c 2014. 
300 |a XII, 121 p. 54 illus., 28 illus. in color.  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
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490 1 |a SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,  |x 2730-776X 
505 0 |a Introduction -- Electronic Structures of Symmetric Diradical Systems -- Electronic Structures of Asymmetric Diradical Systems -- Diradical Character View of (Non)linear Optical Properties -- Diradical Character View of Singlet Fission -- Summary. 
520 |a This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission. 
650 0 |a Physical chemistry. 
650 0 |a Optical materials. 
650 0 |a Atoms. 
650 0 |a Molecules. 
650 1 4 |a Physical Chemistry. 
650 2 4 |a Optical Materials. 
650 2 4 |a Atomic, Molecular and Chemical Physics. 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer Nature eBook 
776 0 8 |i Printed edition:  |z 9783319081212 
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950 |a Chemistry and Materials Science (SpringerNature-11644) 
950 |a Chemistry and Material Science (R0) (SpringerNature-43709) 

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