Results 1 to 10 of about 6,265 (137)

Paper-Based Working Electrodes Coated with Mercury or Bismuth Films for Heavy Metals Determination

open access: yesBiosensors, 2020
Paper-based carbon working electrodes were modified with mercury or bismuth films for the determination of trace metals in aqueous solutions. Both modification procedures were optimized in terms of selectivity and sensitivity for the determination of ...
Alberto Sánchez-Calvo   +2 more
doaj   +1 more source

Magnetic behavior of mixed spin prussian blue analog cylindrical nanowire

open access: yesMaterials Research Express, 2020
In this work, we implemented Monte Carlo simulations in order to describe the magnetic phase transition properties of a mixed ferro-ferrimagnetic ternary alloy cylindrical nanowire with formula ${{AB}}_{p}{C}_{1-p}$ .
I D Buitrago-Torres   +3 more
doaj   +1 more source

The role of references and the elusive nature of the chemical bond

open access: yesNature Communications, 2022
The theory of chemical bonding relies on arbitrary references. Here the authors report a fundamental study on the chemical bond showing that considering the binding fragments as objects in real space enables to eliminate inherent biases.
Ángel Martín Pendás, Evelio Francisco
doaj   +1 more source

Comparative study of various analytical techniques (NIR and NMR spectroscopies, and Soxhlet extraction) for the determination of the fat and moisture content of olives and pomace obtained from Jaén (Spain).

open access: yesGrasas y Aceites, 2005
The suitability of two analytical techniques ( viz. near infrared spectroscopy and nuclear magnetic resonance spectroscopy) for the determination of moisture and fat content of olives and pomace was determined.
A. García Sánchez   +2 more
doaj   +1 more source

Thermodynamic Study of Hydrolysis Reactions in Aqueous Solution from Ab Initio Potential and Molecular Dynamics Simulations

open access: yesJournal of Chemistry, 2013
A procedure for the theoretical study of chemical reactions in solution by means of molecular dynamics simulations of aqueous solution at infinite dilution is described using ab initio solute-solvent potentials and TIP3P water model to describe the ...
S. Tolosa, A. Hidalgo, J. A. Sansón
doaj   +1 more source

The Conformations of Isolated Gallic Acid: A Laser-Ablation Rotational Study

open access: yesMolecules, 2022
The rotational spectrum of laser-ablated gallic acid has been recorded using CP-FTMW spectroscopy. Two rotamers have been detected, and their rotational spectra have been assigned and analyzed to obtain the molecular spectroscopic parameters.
Andrés Verde   +2 more
doaj   +1 more source

Relato sobre el desarrollo de la Física y Química Cuántica en Uruguay: Evolución, Aportes y Grupos de Investigación [PDF]

open access: yesRevista Brasileira de Ensino de Física
Resumo Este documento presenta un relato sobre la evolución y los avances de la física y la química cuántica en Uruguay, destacando las contribuciones clave y el impacto de figuras fundamentales en ambas disciplinas. En el ámbito de la física, se analiza
Lucía Amy, Oscar N. Ventura
doaj   +1 more source

Tetrel Interactions from an Interacting Quantum Atoms Perspective

open access: yesMolecules, 2019
Tetrel bonds, the purportedly non-covalent interaction between a molecule that contains an atom of group 14 and an anion or (more generally) an atom or molecule with lone electron pairs, are under intense scrutiny. In this work, we perform an interacting
José Luis Casals-Sainz   +3 more
doaj   +1 more source

Decoding the Structure of Non-Proteinogenic Amino Acids: The Rotational Spectrum of Jet-Cooled Laser-Ablated Thioproline

open access: yesMolecules, 2021
The broadband rotational spectrum of jet-cooled laser-ablated thioproline was recorded. Two conformers of this system were observed and identified with the help of DFT and ab initio computations by comparison of the observed and calculated rotational ...
Juan Carlos López   +4 more
doaj   +1 more source

Toxic effect of copper on marine picophytoplankton populations isolated from different geographic locations

open access: yesScientia Marina, 2010
In an approach to understand more about copper toxicity effects on marine microalgae, 72-h growth inhibition toxicity tests were followed on natural picophytoplanktonic populations belonging to different coastal and oceanic geographic locations ...
Bibiana Debelius   +3 more
doaj   +1 more source

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