Search Results - "Zahariev, Ts"

Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH3(CH2)nNH3SiF6 (n=4 and 6) by Ouasri, A., Lambarki, F., Rhandour, A., Zahariev, Ts. K., Trendafilova, N., Georgieva, I.

“…•The experimental and DFT studies of the IR and Raman properties were performed for NH3(CH2)4NH3SiF6 (1) and NH3(CH2)6NH3SiF6.•The measured spectra was…”
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Structure and aggregation proclivity of C12E3 in aqueous solution by Zahariev, Ts, Ivanova, A., Velinova, M., Tadjer, A.

“…[Display omitted] ► Dodecyl(triethylene glycol) and its dimers are modeled by DFT and ONIOM in water. ► Single molecules and dimers are very flexible and allow…”
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Structural characterisation, Hirshfeld surfaces, DSC, periodic DFT modeling, vibrational and optical study of heptylenediammonium pentachlorobismuthate H3N(CH2)7NH3BiCl5 by Ouasri, A., Rhandour, A., Zahariev, Ts, Georgieva, I.

“…A perspective hybrid material, NH3(CH2)7NH3BiCl5, was extensively characterized by structural, DSC, spectroscopic (FT-IR, FT-Raman, and UV-fluorescence) and…”
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X-ray structures, solid state periodic DFT modeling and vibrational study of alkylenediammonium hexachlorostannates compounds NH3(CH2)nNH3SnCl6 (n = 3, 4, 5) by Ouasri, A., Elyoubi, M.S.D., Rhandour, A., Georgieva, I., Zahariev, Ts, Trendafilova, N., Roussel, P.

“…Combined experimental (X-ray, IR and Raman) and theoretical (periodic DFT/PAW-PW91) studies have been performed for thorough understanding of the structure,…”
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Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH^sub 3^(CH^sub 2^)^sub n^NH^sub 3^SiF^sub 6^ (n = 4 and 6) by Ouasri, A, Lambarki, F, Rhandour, A, Zahariev, Ts K, Trendafilova, N, Georgieva, I

“…Experimental and periodic DFT studies of the structural and vibrational (infrared and Raman) properties of two alkylenediammonium hexafluorosilicate compounds,…”
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