In this paper we revisit the minimum mean square error (MMSE) pilot-aided channel estimation for broadband orthogonal frequency division multiplexing (OFDM) systems. The careful design of OFDM symbol leads to the proposal of a simplified time-domain (TD) MMSE estimator. By exploring the Fourier properties of the symbol, the investigated method eliminates the need to use direct or inverse discre...

The solvatochromic, spectral, and geometrical properties of nifenazone (NIF), a pyrazole-nicotinamide drug, were experimentally and computationally investigated in several neat solvents and in hydro-organic binary systems such as water-acetonitrile and water-dioxane systems. The bathochromic spectral shift observed in NIF absorption spectra when reducing the polarity of the solvent was correlat...

This work is aimed at theoretical understanding of electronic absorption and emission energies of a series of substituted diphenyl butadiynes through an assessment of several TDDFT functionals and a detailed study of solvent effects on their ground and excited state structures and properties. Out of a series of functionals examined, the coulomb attenuated DFT functional CAM-B3LYP is found to be...

The molecular structure, UV-visible spectra, and optical properties of D-π-A conjugated organic dye molecules (Disperse Red 1 (DR1) Disperse 73 (DR73)) were analyzed using density functional theory (DFT) time-dependent (TD-DFT) compared with azobenzene molecule to study the effect donor acceptor substituents on properties. performance DFT functionals is investigated B3LYP hybrid three long-rang...

This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of the FT-IR, UV and NMR spectra were reported. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated with the help of density fu...

We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or SSB-D, except for the high-spin ground-state of the Co(ii) complex that was properly described only by SSB-D. The UV-Vis spectra from TD-DFT reproduce in general rather well th...

The reaction between Ph2PH and C6F5CNS leads to the formation of the polyfluorinated benzothiazolephosphine ligand Ph2P(CNS)(C6F4) 1. The mechanism of the reaction involves the addition of the phosphine to the isothiocyanate and subsequent intramolecular nucleophilic aromatic substitution. This new ligand reacts with gold(I) substrates producing complexes [AuCl{Ph2P(CNS)(C6F4)}] 2 and [Au(C6F5)...

Herein we report the synthesis and photophysical study of tris-heteroleptic complexes of the general formula IrLL'(acac), where L and L' are two differently substituted 2-phenylpyridines (ppyH) and acacH is 2,4-pentanedione, using a combinatorial approach that could be employed for many ligand combinations. The tris-heteroleptic complexes and the analogous bis-heteroleptic complexes of the form...