Comparative DFT-D studies on structural and absorption properties of crystalline 3,3′-dinitroamino-4,4′-azoxyfurazan, 3,3′-dinitro-4,4′-azoxyfurazan, and 3,4-bis(3-nitrofurazan-4-yl)furoxan under high pressures

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Canadian Journal of Chemistry, Vol. 93, Iss. 11, 2015-01 ,pp. : 1191-1198

NRC Research Press

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DFT-D studies on structural variation and absorption properties of crystalline benzotrifuroxan under high pressure

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Canadian Journal of Chemistry, Vol. 92, Iss. 12, 2014-01 ,pp. : 1131-1137

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DFT studies of pressure effects on structural and vibrational properties of crystalline octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

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Theoretical Chemistry Accounts, Vol. 124, Iss. 3-4, 2009-10 ,pp. : 179-186

Springer Publishing Company

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Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies

By El-Shishtawy Reda M.   Elroby Shaaban A.   Asiri Abdullah M.   Müllen Klaus  

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First-Principles Study on the Structural and Electronic Properties of Monolayer MoS₂ with S-Vacancy under Uniaxial Tensile Strain

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Nanomaterials, Vol. 8, Iss. 2, 2018-01 ,pp. : 74-74

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