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Symmetries in the collective excitations of an electron gas in core-shell nanowires
(American Physical Society, 2014)
We study the collective excitations and inelastic light-scattering cross section of an electron gas confined
in a GaAs/AlGaAs coaxial quantum well. These systems can be engineered in a core-multishell nanowire
and inherit ...
Role of alternance symmetry in magnetoconductance
(American Physical Society, 2014)
We show that the direction of coherent electron transport across a cyclic system of quantum dots or a cyclic
molecule can be modulated by an external magnetic field if the cycle has an odd number of hopping sites, but
the ...
Hexanuclear Niobium Cluster Compounds with Protonated N‐Base Cations
(Wiley, 2020)
Octahedral clusters of the [M6X12] type offer numerous possibilities to form structural arrangements through different choices of bonding situations. In this paper a series of new cluster compounds of the transition metal ...
Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide
(Royal Society of Chemistry, 2014)
The influence of tetrabutylammonium hydroxide on the phase composition (cubic zinc blende versus
hexagonal wurtzite) of ZnS nanoparticles was studied. The ZnS nanoparticles were prepared by a microwaveassisted
solvothermal ...
Protein Isotope Effects in Dihydrofolate Reductase From Geobacillus stearothermophilus Show Entropic–Enthalpic Compensatory Effects on the Rate Constant
(American Chemical Society, 2014)
Catalysis by dihydrofolate reductase from the moderately thermophilic bacterium Geobacillus stearothermophilus (BsDHFR) was investigated by isotope substitution of the enzyme. The enzyme kinetic isotope effect for hydride ...
Unraveling reaction mechanisms by means of Quantum Chemical Topology Analysis
(Elsevier, 2014-10)
A chemical reaction can be understood in terms of geometrical changes of the molecular structures and reordering of the electronic densities involved in the process; therefore, identifying structural and electronic density ...
Carbon Nanofibers versus Silver Nanoparticles: Time-Dependent Cytotoxicity, Proliferation, and Gene Expression
(MDPI, 2021-09-03)
Carbon nanofibers (CNFs) are one-dimensional nanomaterials with excellent physical and broad-spectrum antimicrobial properties characterized by a low risk of antimicrobial resistance. Silver nanoparticles (AgNPs) are ...
Rational Design of W-Doped Ag3PO4 as an Efficient Antibacterial Agent and Photocatalyst for Organic Pollutant Degradation
(ACS Publications, 2020-09-11)
Bacterial and organic pollutants are major problems with potential adverse impacts on human health and the environment. A promising strategy to alleviate these impacts consists in designing innovative photocatalysts with ...
Inquiry of the electron density transfers in chemical Q1 Q2 reactions: a complete reaction path for the denitrogenation process of 2,3-diazabicyclo- [2.2.1]hept-2-ene derivatives
(Royal Society of Chemistry, 2015)
A detailed study on all stages associated with the reaction mechanisms for the denitrogenation of
2,3-diazabicyclo[2.2.1]hept-2-ene derivatives (DBX, with X substituents at the methano-bridge carbon atom,
X = H and OH) ...
Identifying and rationalizing the morphological, structural, and optical properties of β-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
(IOP Publishing, 2015-11)
We present a combined theoretical and experimental study on the morphological, structural, and optical properties of β-Ag2MoO4 microcrystals. β-Ag2MoO4 samples were prepared by a co-precipitation method. The nucleation and ...