Mg12O12 and Be12O12 Nanocages as Sorbents and Sensors for H2S and SO2 Gases: A Theoretical Approach von Badran, H., Eid, Kh, Baskoutas, Sotirios, Ammar, H.

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TM-doped B12N12 nano-cage (TM = Mn, Fe) as a sensor for CO, NO, and NH3 gases: A DFT and TD-DFT study von Ammar, H.Y., Badran, H.M., Eid, Kh.M.

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DFT and TD-DFT calculations for electronic, magnetic, and optical characteristics of the 3d transition metal complexes for hexaazabipyH2 von Badran, H.M., Eid, Kh.M., Al-Nadary, H.O., Ammar, H.Y.

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Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations von Badran, H.M., Eid, Kh.M., Al-Nadary, H.O., Ammar, H.Y.

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DFT and TD-DFT studies of halogens adsorption on cobalt-doped porphyrin: Effect of the external electric field von Badran, H.M., Eid, Kh.M., Ammar, H.Y.

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Interaction and detection of formaldehyde on pristine and doped boron nitride nano-cage: DFT calculations von Ammar, H.Y., Eid, Kh.M., Badran, H.M.

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Adsorption of SO2 on Li atoms deposited on MgO (100) surface: DFT calculations von EID, Kh. M, AMMAR, H. Y

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A density functional study of NO2 adsorption on perfect and defective MgO (100) and Li/MgO (100) surfaces von Eid, Kh.M., Ammar, H.Y.

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Vibrational spectroscopic analysis of aluminum phthalocyanine chloride. experimental and DFT study von Soliman, I.M., El-Nahass, M.M., Eid, Kh.M., Ammar, H.Y.

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FT-IR spectroscopic analyses of 2-(2-furanylmethylene) propanedinitrile von Soliman, H.S., Eid, Kh.M., Ali, H.A.M., El-Mansy, M.A.M., Atef, S.M.

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Band gap engineering in short heteronanotube segments via monovacancy defects von El-Barbary, A.A., Eid, Kh.M., Kamel, M.A., Hassan, M.M.

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Vibrational spectroscopic analysis of 2-chloro-5-(2,5-dimethoxy-benzylidene)-1,3-diethyl-dihydro-pyrimidine-4,6(1H,5H)-dione von Soliman, H.S., Eid, Kh.M., Ali, H.A.M., Atef, S.M., El-Mansy, M.A.M.

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DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (100) and CdO (100) von Eid, Kh.M., Taha, H.O., Kamel, M.A., Ashour, A.E., Abdel Halim, W.S.

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A DFT study on the effect of the external electric field on ammonia interaction with boron nitride nano-cage von Badran, H.M., Eid, Kh.M., Ammar, H.Y.

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The impact of an external electric field on methanol adsorption on XB11N12 (X=B, Co, Ni) nano-cages: A DFT and TD-DFT study von Ammar, H.Y., Eid, Kh.M., Badran, H.M.

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Adsorption of SO 2 on Li atoms deposited on MgO (1 0 0) surface: DFT calculations von Eid, Kh.M., Ammar, H.Y.

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TM-doped Mg12O12 nano-cages for hydrogen storage applications: Theoretical study von Ammar, H.Y., Eid, Kh.M., Badran, H.M.

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Mg 12 O 12 and Be 12 O 12 Nanocages as Sorbents and Sensors for H 2 S and SO 2 Gases: A Theoretical Approach von Badran, H M, Eid, Kh M, Baskoutas, Sotirios, Ammar, H Y

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Electrical transport mechanisms and photovoltaic behavior of 2-(2-furanylmethylene) propanedinitrile/p-Si heterojunction von Ali, H.A.M., Soliman, H.S., Eid, Kh.M., Atef, S.M.

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U2 center, adsorption, coadsorption and epitaxial growth of Cu, Ag and Au on LiH(0 0 1) surface: DFT calculations von Shalabi, A.S., El-Mahdy, A.M., Eid, Kh.M., Kamel, M.A., El-Barbary, A.A.

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