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Transient Phenomena in the Pulse Radiolysis of Oxoisoaporphine Derivatives in Acetonitrile
(AMER CHEMICAL SOC, 2008-10-16)
The absorption-spectral and kinetic behavior of radical ions and triplet states of two oxoisoaporphine derivatives, 2,3-dihydrooxoisoaporphine (2,3-DHOA) and 5-methoxy-2,3-dihydrooxoisoaporphine (5-MeO-2,3-DHOA), have been ...
Theoretical Study of Electronic Spectra of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n=3-5) Complexes
(JOHN WILEY & SONS INC, 2009-03-05)
The platinum-platinum attraction and the spectroscopic properties of [Pt-3(mu-CO)(3)(CO)(3)](n)(-2) (n = 3-5) were Studied at the PBE level. Theoretical calculations are in agreement with experimental geometries. The ...
Theoretical study on electronic spectra and aurophilic attraction in [Au-3(MeN=COMe)(3)](n) (n-1-4) complexes
(ELSEVIER SCIENCE BV, 2007-10-25)
The aurophilic attraction and the spectroscopic properties of [AU(3)(MeN=COMe)(3)](n) (n = 1-4) were studied at the MP2 and density functional theory (B3LYP and PBE) levels. Theoretical calculations at the MP2 level are ...
On the origins of the absorption spectroscopy of pterin and Re(CO)3(pterin)(H2O) aqueous solutions. A combined theoretical and experimental study
(Elsevier, 2014-04)
The origins of the absorption spectroscopy of pterin and Re(CO)3(pterin)(H2O) complex as a function of pH is studied using the hybrid functional B3LYP and PBE0 in combination with 6-311++G(d,p) and LanL2TZ(f) basis sets. ...
Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells†
(Royal Society of Chemistry, 2016)
Solar power is a strong alternative to the currently used fossil fuels in order to satisfy the world's energy needs. Among them, dye-sensitized solar cells (DSSC) represent a low-cost option. Efficient and cheap dyes are ...
Excitons and shallow impurities in GaAs-Ga1-xAlxAs semiconductor heterostructures within a fractional-dimensional space approach: Magnetic-field effects
(American Physical SocCollege PkEUA, 2000)
Virial theorem, scaling properties and magnetic-field effects on Coulomb-bound states in semiconductor quantum wells
(Iop Publishing LtdBristolInglaterra, 2004)
TD-DFT calculations of UV absorption bands and their intensities in the spectra of some tetrahydroquinolines
(Royal Society of Chemistry, 2015-03-04)
A detailed analysis of the MOs involved in electronic transitions in UV spectra as well as a conformational study of 1-benzenesulfonyl-1,2,3,4-tetrahydroquinoline (BSTHQs) derivatives have been carried out using the TD-DFT ...
Berreman effect in amorphous and crystalline WO3 thin films
(Amer Chemical SocWashingtonEUA, 2004)
Study of self-absorption of emission magnesium lines in laser-induced plasmas on calcium hydroxide matrix
(Institute Of Electrical And Electronics Engineers, 2012-03)
In this paper, we investigate the self-absorption of Mg I–II emission lines on laser-induced breakdown spectroscopy (LIBS) experiments. We produced the plasmas in air at atmospheric pressure by focusing a Nd:YAG laser onto ...