Listar Artículos (Química Física) por título
Mostrando ítems 192-211 de 243
-
Artículo
Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations
(American Institute of Physics Publising LLC, 1999)The simplest representation of monoatomic cations in aqueous solutions by means of a sphere with a radius chosen on the ...
-
Artículo
Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics
(American Institute of Physics, 2023)Extended X-Ray Absorption Fine Structure (EXAFS) theoretical spectra for some 3d transition metal-phthalocyanines–FePc, ...
-
Artículo
Single -and Multi-Walled Carbon Nanotubes as Nanocarriers for the Delivery of 7-Hydroxyflavone
(Multidisciplinary Digital Publishing Institute (MDPI), 2022)The research on flavonoids has exponentially grown since their first therapeutic evidence, in 1937. They are effective in ...
-
Artículo
Sodium Lauryl Sulfate-Conjugated Cationic Gemini-Surfactant-Capped Gold Nanoparticles as Model System for Biomolecule Recognition
(Multidisciplinary Digital Publishing Institute (MDPI), 2023)Surfactant-based nanostructures are promising materials for designing novel colorimetric biosensors based on ...
-
Artículo
Solvation in binary mixtures of dipolar hard sphere solvents: Theory and simulations
(AIP Publishing, 2000-08)The structure of mixtures of dipolar hard sphere fluids with components of equal size but different dipole moments around ...
-
Artículo
Solving the Hydration Structure of the Heaviest Actinide Aqua IonKnown: The Californium(III) Case
(Wiley-Blackwell, 2010)Wish they all could be californium: X-ray absorption spectroscopy (black points) and Monte Carlo simulations (blue line) ...
-
Artículo
Sonogashira cross-coupling and homocoupling on a silver surface: Chlorobenzene and phenylacetylene on Ag(100)
(American Chemical Society, 2015)Scanning tunneling microscopy, temperature-programmed reaction, near-edge X-ray absorption fine structure spectroscopy, ...
-
Artículo
Spectroelectrochemical Characterization of 1,2-Dipalmitoyl-sn-glycero-3-cytidine Diphosphate Nucleolipid Monolayer Supported on Gold (111) Electrode
(ACS, 2019-01-03)The effect of the electrode potential on the orientation and conformation of the 1,2-dipalmitoyl-sn-glycero-3-cytidine ...
-
Artículo
Spin-crossover complexes in nanoscale devices: main ingredients of the molecule–substrate interactions
(Royal Society of Chemistry, 2021)Spin-crossover complexes embedded in nanodevices experience effects that are absent in the bulk that can modulate, quench ...
-
Artículo
Spin-crossover Fe(ii) complexes on a surface: a mixture of low-spin and high-spin molecules at low temperature from quantum-chemistry calculations
(Royal Society of Chemistry, 2022)A common feature of spin-crossover molecules deposited on a substrate is the presence of a residual proportion of high-spin ...
-
Artículo
Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules
(Springer Nature, 2021)Spin crossover (SCO) molecules are promising nanoscale magnetic switches due to their ability to modify their spin state ...
-
Artículo
Steric Tuning of Sulfinamide/Sulfoxides as Chiral Ligands with C1, Pseudo-meso, and Pseudo‑C2 Symmetries: Application in Rhodium(I)-Mediated Arylation
(ACS, 2019-07-31)A new family of sulfinamide/sulfoxide derivatives was synthesized as chiral bidentate ligands by stereoselective additions ...
-
Artículo
Structural and electronic properties of lead sulfide quantum dots from screened hybrid density functional calculations including spin-orbit coupling effects
(Springer Verlag, 2017)We present in this work density functional theory calculations of the structural and electronic properties of (PbS)n ...
-
Artículo
Structural and functional insights into lysine acetylation of cytochrome c using mimetic point mutants
(Wiley-Blackwell, 2021)Post-translational modifications frequently modulate protein functions. Lysine acetylation in particular plays a key role ...
-
Artículo
Students with disabilities at university: benefits and challenges from the best faculty members’ experiences
(ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD, 2022)This article presents the results of a study that gave a voice to 119 faculty members of 10 Spanish universities, who were ...
-
Artículo
Study of ionic surfactants interactions with carboxylated single-walled carbon nanotubes by using ion-selective electrodes
(Elsevier, 2016)Potentiometric measurements based on the use of ion-selective electrodes have been used to study the interaction (adsorption) ...
-
Artículo
Study of the reaction 2-(p-nitrophenyl)ethyl bromide + OH- in dimeric micellar solutions
(MDPI, 2011)The dehydrobromination reaction 2-(p-nitrophenyl)ethyl bromide + OH− was investigated in several alkanediyl---bis(dodecyldimethylammonium) ...
-
Artículo
Study of the stabilization energies of halide-water clusters: An application of first-principles interaction potentials based on a polarizable and flexible model
(American Institute of Physics (AIP), 2004)The aim of this work is to compute the stabilization energy Estab(n) of [ X(H2O)n ]- (X=F, Br, and I for n=1 – 60) clusters ...
-
Artículo
Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions
(American Chemical Society, 2016)Anions whose specific adsorption involves a proton-coupled electron transfer (PCET) include adsorbed OH (OHad), which plays ...
-
Artículo
Supramolecular Systems for Gene and Drug Delivery
(Multidisciplinary Digital Publishing Institute (MDPI), 2022)