Structural and vibrational characterization of HCO+ and Rg–HCO+, Rg = {He, Ne, Ar, Kr, and Xe}

2021 ◽  
Vol 155 (17) ◽  
pp. 174306
Author(s):  
Jake A. Tan ◽  
Soon Teh ◽  
Jer-Lai Kuo
Keyword(s):  
Vibrational Characterization

scholarly journals Vibrational Characterization of Simple Peptides Using Cryogenic Infrared Photodissociation of H2-Tagged, Mass-Selected Ions

2011 ◽  
Vol 133 (16) ◽  
pp. 6440-6448 ◽  
Author(s):  
Michael Z. Kamrath ◽  
Etienne Garand ◽  
Peter A. Jordan ◽  
Christopher M. Leavitt ◽  
Arron B. Wolk ◽  
...  
Keyword(s):  
Vibrational Characterization

N2 positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties

2020 ◽  
Vol 8 (15) ◽  
pp. 5239-5247 ◽  
Author(s):  
Giulio Di Palma ◽  
Francesco Silvio Gentile ◽  
Valentina Lacivita ◽  
William C. Mackrodt ◽  
Mauro Causà ◽  
...  
Keyword(s):  
Ab Initio ◽  
Quantum Mechanical ◽  
Vibrational Properties ◽  
Quantum Mechanical Calculations ◽  
Mechanical Investigation ◽  
Crystal Code ◽  
Charged Defects ◽  
Positively Charged ◽  
Vibrational Characterization

Structural, EPR and vibrational characterization of the N2, N+2 and N++2 defects in diamond from ab initio quantum-mechanical calculations with the CRYSTAL code.

scholarly journals Vibrational characterization of a diiron bridging hydride complex – a model for hydrogen catalysis

2020 ◽  
Vol 11 (21) ◽  
pp. 5487-5493 ◽  
Author(s):  
Leland B. Gee ◽  
Vladimir Pelmenschikov ◽  
Hongxin Wang ◽  
Nakul Mishra ◽  
Yu-Chiao Liu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Model Systems ◽  
Hydride Complex ◽  
Vibrational Characterization

Fe–H–Fe bridging iron hydrides in model systems and metalloenzymes: benefits and challenges in revealing their vibrational signatures using NRVS spectroscopy and DFT calculations.

scholarly journals Preparation and Physicochemical Characterization of Softgels Cross-Linked with Cactus Mucilage Extracted from Cladodes of Opuntia Ficus-Indica

Molecules ◽  
2019 ◽  
Vol 24 (14) ◽  
pp. 2531 ◽  
Author(s):  
Luis R. Camelo Caballero ◽  
Andrea Wilches-Torres ◽  
Agobardo Cárdenas-Chaparro ◽  
Jovanny A. Gómez Castaño ◽  
María Carolina Otálora
Keyword(s):  
Physicochemical Characterization ◽  
Wall Material ◽  
Scanning Calorimetry ◽  
Nutritional Properties ◽  
Solubility In Water ◽  
Prepared Composite ◽  
Cactus Mucilage ◽  
Composite Samples ◽  
Vibrational Characterization

A new crosslinking formulation using gelatin (G) and cactus mucilage (CM) biopolymers was developed, physicochemically characterized and proposed as an alternative wall material to traditional gelatin capsules (softgels). The effect of G concentration at different G/CM ratios (3:1, 1:1 and 1:3) was analyzed. Transparency, moisture content (MC), solubility in water (SW), morphology (scanning electron microscopy, SEM), vibrational characterization (Fourier transform infrared, FTIR), color parameters (CIELab) and thermal (differential scanning calorimetry/thermogravimetric analysis, DSC/TGA) properties of the prepared composite (CMC) capsules were estimated and compared with control (CC) capsules containing only G and glycerol. In addition, the dietary fiber (DF) content was also evaluated. Our results showed that the transparency of composite samples decreased gradually with the presence of CM, the G/CM ratio of 3:1 being suitable to form the softgels. The addition of CM decreased the MC, the SW and the lightness of the capsules. Furthermore, the presence of polysaccharide had significant effects on the morphology and thermal behavior of CMC in contrast to CC. FTIR spectra confirmed the CMC formation by crosslinking between CM and G biopolymers. The addition of CM to the softgels formulation influenced the DF content. Our findings support the feasibility of developing softgels using a formulation of CM and G as wall material with nutritional properties.

scholarly journals AMBIENT VIBRATIONAL CHARACTERIZATION OF THE NOSSA SENHORA DAS DORES CHURCH

2017 ◽  
Vol 9 (4) ◽  
pp. 170-182 ◽  
Author(s):  
Esequiel MESQUITA ◽  
Francisco BRANDÃO ◽  
Aldecira DIOGENES ◽  
Paulo ANTUNES ◽  
Humberto VARUM
Keyword(s):  
Safety Assessment ◽  
Natural Frequencies ◽  
Relevant Information ◽  
Clay Brick ◽  
3D Finite Element ◽  
Heritage Constructions ◽  
Xix Century ◽  
The Church ◽  
Vibrational Characterization

The present paper shows the vibrational characterization tests of a clay brick heritage construction from XIX century, the Nossa Senhora das Dores Church, placed in Sobral, Brazil. In this study the calibration of the 3D finite element numerical model of the church was performed through ambient vibrational testing using the first three natural frequencies identified. The obtained results, namely the natural frequencies identified, and the calibrated model intends to give a contribute for understanding of the structural behavior of the Brazilian heritage constructions, and introduces relevant information for be used for safety assessment of the church along the time.

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