IR spectra of TATB at different temperature were investigated for vibrational assignments. The results showed that the hydrogen bonding interaction of TATB was significantly weakened with increasing the temperature. Based on the frequency shifts of the hydrogen bonding interaction to several vibrational modes, 12 absorbance bands in the region 600-1700 cm(-1) were assigned to corresponding vibrational modes. In addition, Fermi resonance effect between NO2 and NH2 scissors was observed, and the enhancement of Fermi resonance effect caused the intensity of v3 (at 1545 cm(-1)) to grow during heating.
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http://dx.doi.org/10.1016/j.saa.2013.05.067 | DOI Listing |
Spectrochim Acta A Mol Biomol Spectrosc
January 2025
Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 China. Electronic address:
The line list is essential for accurately modeling various astrophysical phenomena, such as stellar photospheres and atmospheres of extrasolar planets. This paper introduces a new line database for the PS molecule spanning from the ultraviolet to the infrared regions, covering wavenumbers up to 45000 cm and containing over ten million transitions between 150,458 states with total angular momentum J < 160. Accurate line intensities for rotational, vibrational and electronic transitions are generated by using the general purpose variational code DUO.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA.
Electronic spectra for OThF have been recorded using fluorescence excitation and two-photon resonantly enhanced ionization techniques. Multiple vibronic bands were observed in the 340-460 nm range. Dispersed fluorescence spectra provided ground state vibrational constants and evidence of extensive vibronic state mixing at higher excitation energies.
View Article and Find Full Text PDFInt J Clin Pediatr Dent
November 2024
Department of Pediatric and Preventive Dentistry, Dr Ziauddin Ahmad Dental College and Hospital, Aligarh Muslim University, Aligarh, Uttar Pradesh, India.
Aim And Background: Although local anesthesia (LA) eliminates pain and instills a positive dental attitude, the physical appearance of its syringe is highly fear provoking and often intolerable. Therefore, the purpose of this study was to evaluate the pain and fear perception in camouflaged syringe (CS) and vibration-assisted syringe (VA) when compared with conventional syringe and with each other (VACS) during local anesthetic administration in pediatric patients aged between 6 and 12 years.
Materials And Methods: Eighty-five subjects were randomly assigned into three groups: CS group ( = 7), VA group ( = 26), and VACS group ( = 27).
J Nutr Sci Vitaminol (Tokyo)
January 2025
Faculty of Agriculture, Kagawa University.
Whole-body vibration (WBV) has gained attention as a light-resistance exercise and can increase energy metabolism. The rare sugar D-allulose has anti-obesity effects that are mediated by the suppression of hepatic lipogenesis. In this study, we examined the anti-obesity effects of a combination of WBV and dietary D-allulose in rats fed a high-fat diet.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Technical Education, Uttar Pradesh, India.
In this work, Density Functional Theory (DFT) on Gaussian 09 W software was utilized to investigate the phenylephrine (PE) molecule (C9H13NO2). Firstly, the optimized structure of the PE molecule was obtained using B3LYP/6-311 + G (d, p) and CAM-B3LYP/6-311 + G (d, p) basis sets. The electron charge density is shown in Mulliken atomic charge as a bar chart and also as a color-filled map in Molecular Electrostatic Potential (MEP).
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