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RISA Joint Experimental and Theoretical Study on the Synthesis and Structure of the new Oxidative salt of Triphenyl [2-(triphenylphosphaniumyl) ethyl] phosphanium bis(periodate)
سال: 2013
خلاصه:
The energy of several highest occupied and the lowest unoccupied molecular orbital’s title salt was obtained that the highest occupied energy’s is -0.28 and the unoccupied energy’s is -0.126(au). Among the highest occupied ...
Thermal Decomposition Mechanisms of the Ionic Liquids Based on a-Amino Acid Anion and N7,N9- Dimethyladeninium Cation; Quantum Chemistry Approach
سال: 2015
خلاصه:
Thermal stability of the ionic liquids is of great importance for their industrial applications. In
this work density functional theory calculations have been used to evaluate thermal decomposition
mechanisms ...
Molecular engineering of the organometallic perovskites/HTMs in the PSCs; Photovoltaic behavior and energy conversion
سال: 2018
خلاصه:
In this work, a quantum chemistry study was performed on the organometallic perovskites/organic hole transfer materials (HTMs) in the perovskite solar cells (PSCs) from the molecular engineering viewpoint. Density functional theory (DFT...
Wireless monitoring of heterogeneous parameters in complex museum scenario
ناشر: IEEE
سال: 2014
Loading of soft core processor using soft core UART at run time
ناشر: IEEE
سال: 2014
Characterizing Molecular Interactions in Chemical Systems
ناشر: IEEE
سال: 2014