Chemical Reactivity, Topological Analysis, and Second-Order Nonlinear Optical Responses of M3O@Al12N12: A Quantum Chemical Study

被引:0
|
作者
Nabil Benyza
Fatima Allouche
Sandra Walha Dammak
Elhafnaoui Lanez
Touhami Lanez
机构
[1] Laboratory of Sensors,
[2] Instrumentations and Process (LCIP) University of Abbes Laghrour,undefined
[3] Laboratoire de Valorisation et Technologie des Ressources Sahariennes Université d’El Oued,undefined
[4] Laboratoire Physico-Chime de l’Etat Solide,undefined
[5] Département de Chimie,undefined
[6] Faculté des Sciences de Sfax,undefined
[7] B.P1171,undefined
[8] Université de Sfax,undefined
关键词
DFT; QTAIM; static; dynamic; NLO; nanocage; superalkali;
D O I
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中图分类号
学科分类号
摘要
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页码:2909 / 2920
页数:11
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