Spectroscopic investigations, NBO, HOMO–LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential bioactive agent

Journal article

Peer reviewed

Fatmah A.M. Al-Omary, Y. Sheena Mary, C. Yohannan Panicker, Ali A. El-Emam, Ibrahim A. Al-Swaidan, Abdulaziz A. Al-Saadi and C. Van Alsenoy

Journal of molecular structure, Vol.1096, pp.1-14

15/09/2015

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Title: Spectroscopic investigations, NBO, HOMO–LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential bioactive agent
Creators - without role: Fatmah A.M. Al-Omary - King Saud University
Y. Sheena Mary - Fatima Mata National College
C. Yohannan Panicker
Ali A. El-Emam - King Saud University
Ibrahim A. Al-Swaidan
Abdulaziz A. Al-Saadi - King Fahd University of Petroleum and Minerals
C. Van Alsenoy - University of Antwerp
Publication Details: Journal of molecular structure, Vol.1096, pp.1-14
Identifiers: 9946204208331
Academic Unit: King Saud University; King Fahd University of Petroleum & Minerals
Language: English
Resource Type: Journal article