Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications.

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作者： Naveen,Kosar ^[1] ; Khurshid,Ayub ^[2] ; Mazhar Amjad,Gilani ^[3] ; Muhammad,Arshad ^[4] ; Tariq,Mahmood ^[5]

作者单位： Department of Chemistry, University of Management and Technology (UMT), C11, Johar Town, Lahore, Pakistan. Naveen.kosar@umt.edu.pk. ^[1] Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan. ^[2] Department of Chemistry, COMSATS University Islamabad, Lahore Campus, Lahore, 54600, Pakistan. ^[3] Institute of Chemistry, The Islamia University of Bahawalpur, Baghdad-Ul-Jadeed Campus, Bahawalpur, 63100, Pakistan. ^[4] Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, 22060, Pakistan. mahmood@cuiatd.edu.pk. ^[5] Department of Chemistry, College of Science, University of Bahrain, P.O. Box 32038, Sakhir, Bahrain. mahmood@cuiatd.edu.pk. ^[6]

关键词 Circulene Density functional theory Frequency-dependent hyperpolarizability Nonlinear optical response

DOI 10.1007/s00894-022-05386-3

PMID 36414764

发布时间 2022-12-06

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