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The vibrational spectrum of triacetone triperoxide (TATP) is studied by the correlation-corrected vibrational self-consistent field (CC-VSCF) method which incorporates anharmonic effects. Fundamental, overtone, and combination band frequencies are obtained by using a potential based on the PM3...
Efficient 2.0 μm infrared and visible upconversion emissions have been observed in Ho 3+ /Yb 3+ co-doped mixed-alkali bismuth gallate (LKBBG) glasses having a maximum-phonon energy of 673 cm −1 . The Judd–Ofelt parameters Ω 2 , Ω 4 and Ω 6 of Ho 3+ indicate that there is a high asymmetry...
The calculated results in the recent paper about the spin-Hamiltonian (SH) parameters ( g factors g // , g ⊥ and hyperfine structure constants A // , A ⊥ ) and the local structures of Co 4+ and Ir 4+ impurity centers in the tetragonal phase of SrTiO 3 are doubtful because there are several...
Single crystals of bisthiourea cadmium bromide (BTCB), a new metallorganic material crystallizing in orthorhombic system were grown from slow evaporation solution growth. The grown crystals were characterized by X-ray diffraction, FTIR and FT-Raman spectral studies. The crystals were also...
We present electron paramagnetic resonance (EPR)—evidence of photomagnetism under the conditions of in situ green laser illumination (photo-EPR) in lead magnesium niobate–lead titanate, Pb(Mg,Nb)O 3 –PbTiO 3 (PMN–PT), containing nanoparticles/wires of orthorhombic β-PbO as identified by...
The DNA-binding affinities and DNA photocleavage abilities of cationic porphyrin, 5-(4-carboxyphenyl)-10,15,20-tris(4-methylpyridiniumyl)porphyrin (CTMPyP), and its reference compound meso -tetrakis( N -methyl-4-pyridiniumyl)porphyrin (H 2 TMPyP) have been investigated. The DNA-binding behaviors...
Variable temperature (−55 to −100 °C) studies of the infrared spectra (4000–400 cm −1 ) of cyclobutanol, c -C 4 H 7 OH dissolved in liquid xenon have been carried out. The infrared spectrum (4000–100 cm −1 ) of the gas has also been recorded. From these data two of the four possible...
The physically distinct notions: crystal field (CF) (or equivalently ligand field (LF)) and effective spin Hamiltonian , which comprises zero-field splitting (ZFS) (or equivalently fine structure (FS)), are often confused each with other in literature. Confusion of the type X = Y consists in...
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