Structural characterisation, Hirshfeld surfaces, DSC, periodic DFT modeling, vibrational and optical study of heptylenediammonium pentachlorobismuthate H3N(CH2)7NH3BiCl5

2021 ◽  
pp. 122805
Author(s):  
A. Ouasri ◽  
A. Rhandour ◽  
Ts Zahariev ◽  
I. Georgieva
Keyword(s):  
Optical Study ◽  
Structural Characterisation ◽  
Dft Modeling ◽  
Hirshfeld Surfaces ◽  
Periodic Dft

Periodic DFT modeling of bulk and surface properties of MgCl2

2009 ◽  
Vol 11 (30) ◽  
pp. 6525 ◽  
Author(s):  
Raffaele Credendino ◽  
Vincenzo Busico ◽  
Mauro Causà ◽  
Vincenzo Barone ◽  
Peter H. M. Budzelaar ◽  
...  
Keyword(s):  
Surface Properties ◽  
Dft Modeling ◽  
Periodic Dft

X-ray structures, solid state periodic DFT modeling and vibrational study of alkylenediammonium hexachlorostannates compounds NH3(CH2)nNH3SnCl6 (n = 3, 4, 5)

2019 ◽  
Vol 1177 ◽  
pp. 55-67 ◽  
Author(s):  
A. Ouasri ◽  
M.S.D. Elyoubi ◽  
A. Rhandour ◽  
I. Georgieva ◽  
Ts Zahariev ◽  
...  
Keyword(s):  
Solid State ◽  
X Ray ◽  
Dft Modeling ◽  
Vibrational Study ◽  
Periodic Dft

Periodic DFT modeling and vibrational analysis of silver(I) cyanide complexes of thioureas

2019 ◽  
Vol 25 (4) ◽  
Author(s):  
Saeed Ahmad ◽  
Ivelina Georgieva ◽  
Muhammad Hanif ◽  
Muhammad Monim-ul-Mehboob ◽  
Shaukat Munir ◽  
...  
Keyword(s):  
Vibrational Analysis ◽  
Dft Modeling ◽  
Cyanide Complexes ◽  
Periodic Dft

Electron Optical Study of Surface Morphologies of Crystals

1980 ◽  
Vol 38 ◽  
pp. 376-377
Author(s):  
Sumio Iijima ◽  
Tung Hsu
Keyword(s):  
Thin Film ◽  
Optical Study ◽  
Regular Array ◽  
Surface Steps ◽  
Diffracted Waves ◽  
Image Position ◽  
Surface Morphologies

Suppose the thickness of a thin film of a crystal varies periodically like a regular array of surface steps, kinematical intensities of diffracted waves from this crystal are modulated by a shape transform,

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