Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra
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N,N-Bis(diphenylphosphino)ethylaniline compounds, Ph2PN-C6H4-C2H5, with ethyl groups at the ortho- and para-positions have been synthesized. Oxidation of the aminophosphines with hydrogen peroxide, elemental sulfur and selenium gave the corresponding ...
Rotationally resolved microwave and ultraviolet spectra of jet-cooled diphenylmethane (DPM) and DPM-d(12) have been obtained in S-0, S-1, and S-2 electronic states using Fourier-transform microwave and UV laser/molecular beam spectrometers. The S-0 and S-1 ...
Using a density-functional approach, we calculate the principal vibrational spectra of vitreous SiO2 and vitreous GeO2 and discuss their analogies and differences. For both glasses, we generate model structures consisting of a random network of corner-shar ...
We present here ultraviolet and infrared spectra of protonated aromatic amino acids in a cold, 22-pole ion trap. Ultraviolet photofragmentation spectra of protonated tyrosine and phenylalanine show vibronically resolved bands corresponding to different sta ...
We report here an experimental approach that enables measurement of weak transitions to a wide range of rovibrational levels of water in the energy region 27000-34200 cm-1. We have previously demonstrated the use of laser double-resonance overtone excitati ...
We performed fully first principles quantum mechanical calculations of the ground and excited state geometries and harmonic vibrational frequencies of two prototype cationic Ir(III) complexes showing high emission quantum efficiencies. Thanks to recent the ...
Two methods of covalent grafting of a protein onto a calcite surface were developed. Single-molecule force spectroscopy was used to examine the characteristics of individual albumin-albumin polyclonal body complexes. The practical applicability of the prop ...
Disordered oxides, such as vitreous silica (v-SiO2) and vitreous germania, (v-GeO2) and chalcogenide glasses, such as vitreous germanium diselenide (v-GeSe2) are currently key materials in many technological fields, ranging from Si-based microelectronic to ...
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