DFT-D3 and TD-DFT Studies of the Adsorption and Sensing Behavior of Mn-Phthalocyanine toward NH 3 , PH 3 , and AsH 3 Molecules.

Autor: Badran, Heba Mohamed¹ (AUTHOR) hmbadran@nu.edu.sa, Eid, Khaled Mahmoud² (AUTHOR) khaledmahmoud@edu.asu.edu.eg, Al-Nadary, Hatim Omar¹ (AUTHOR) hoalnadary@nu.edu.sa, Ammar, Hussein Youssef^1,3 (AUTHOR) hoalnadary@nu.edu.sa

Publikováno v: Molecules. May2024, Vol. 29 Issue 10, p2168. 22p.

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M-Encapsulated Be 12 O 12 Nano-Cage (M = K, Mn, or Cu) for CH 2 O Sensing Applications: A Theoretical Study.

Autor: Al-Nadary HO; Physics Department, College of Science & Arts, Najran University, Najran 11001, Saudi Arabia., Eid KM; Physics Department, Faculty of Education, Ain Shams University, Cairo 11566, Egypt., Badran HM; Physics Department, College of Science & Arts, Najran University, Najran 11001, Saudi Arabia., Ammar HY; Physics Department, College of Science & Arts, Najran University, Najran 11001, Saudi Arabia.

Publikováno v: Nanomaterials (Basel, Switzerland) [Nanomaterials (Basel)] 2023 Dec 19; Vol. 14 (1). Date of Electronic Publication: 2023 Dec 19.