Recent advances in <i>in silico</i> design and characterization of superalkali-based materials and their potential applications: A review.

Pandey, Sarvesh Kumar; Arunan, Elangannan; Das, Ratnesh; Roy, Atish; Mishra, Arunesh Kumar

Recent advances in in silico design and characterization of superalkali-based materials and their potential applications: A review.

Pandey, Sarvesh Kumar; Arunan, Elangannan; Das, Ratnesh; Roy, Atish; Mishra, Arunesh Kumar.

Afiliación

Pandey SK; Department of Inorganic and Physical Chemistry, Indian Institute of Science Bengaluru, Bengaluru, Karnataka, India.
Arunan E; Department of Inorganic and Physical Chemistry, Indian Institute of Science Bengaluru, Bengaluru, Karnataka, India.
Das R; Department of Chemistry, Dr. Harisingh Gour University (A Central University), Sagar, Madhya Pradesh, India.
Roy A; Department of Chemistry, Dr. Harisingh Gour University (A Central University), Sagar, Madhya Pradesh, India.
Mishra AK; Department of Chemistry, Dr. Harisingh Gour University (A Central University), Sagar, Madhya Pradesh, India.

Front Chem ; 10: 1019166, 2022.

Article en En | MEDLINE | ID: mdl-36419589

Palabras clave

HOMO-LUMO (highest occupied molecular orbital-lowest unoccupied molecular orbital); NLO (nonlinear optical); binding energy (BE); ionization potential (IP); superalkali

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2022 Tipo del documento: Article País de afiliación: India Pais de publicación: Suiza

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